4-(4-amino-2-methylphenyl)-3-methylaniline hydrate dihydrochloride|2,2'-dimethyl-[1,1'-biphenyl]-4,4'-diamine dihydrochloride hydrate|4-(4-amino-2-methylphenyl)-3-methylaniline hydrate dihydrochlori...

General Information

Structure

Molecular Formula

C₁₄H₂₀Cl₂N₂O

Molecular Mass

303.2274

Exact Mass

302.09526863

Charge

InChI

InChI=1S/C14H16N2.2ClH.H2O/c1-9-7-11(15)3-5-13(9)14-6-4-12(16)8-10(14)2;;;/h3-8H,15-16H2,1-2H3;2*1H;1H2

InChIKey

OADBOQLKHJKPBM-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)C)c1ccc(cc1C)N.O.Cl.Cl

Isomeric Smiles

c1(c2c(cc(cc2)N)C)c(cc(cc1)N)C.Cl.Cl.O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.8760514

LogD (pH = 7.4)

2.987873

Log P

2.9894621

Molar Refractivity

70.6774

Polarizability

27.197186

Polar Surface Area

52.04

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

4-(4-amino-2-methylphenyl)-3-methylaniline hydrate dihydrochloride

Synonyms

2,2'-dimethyl-[1,1'-biphenyl]-4,4'-diamine dihydrochloride hydrate

IUPAC Traditional name

4-(4-amino-2-methylphenyl)-3-methylaniline hydrate dihydrochloride

Names and Identifiers

Registration numbers

PubChem CID

51051856

PubChem SID

162216208

Registration numbers

Properties

Product Information

Salt Data

2 HCl, H2O

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:121855