CAS 14006-32-7|(4-phenyloxan-4-yl)methanamine|C-(4-Phenyl-tetrahydro-pyran-4-yl)-methylamine|(4-phenyloxan-4-yl)methanamine|(4-phenyltetrahydropyran-4-yl)methylamine|(4-Phenyltetrahydro-2H-pyran-4-y...

General Information

Structure

Molecular Formula

C₁₂H₁₇NO

Molecular Mass

191.26948

Exact Mass

191.13101417

Charge

InChI

InChI=1S/C12H17NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-10,13H2

InChIKey

IPYDNTFWMDEOBW-UHFFFAOYSA-N

Canonic Smiles

NCC1(CCOCC1)c1ccccc1

Isomeric Smiles

C1(c2ccccc2)(CN)CCOCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.6773962

LogD (pH = 7.4)

-0.71972436

Log P

1.3081328

Molar Refractivity

57.7054

Polarizability

22.804989

Polar Surface Area

35.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

(4-phenyloxan-4-yl)methanamine

Synonyms

C-(4-Phenyl-tetrahydro-pyran-4-yl)-methylamine(4-phenyltetrahydropyran-4-yl)methylamine(4-Phenyltetrahydro-2H-pyran-4-yl)methylamine4-(Aminomethyl)-4-phenyltetrahydro-2H-pyran(4-phenyltetrahydro-2H-pyran-4-yl)methylamine1-(4-phenyltetrahydro-2H-pyran-4-yl)methanamine

IUPAC Traditional name

(4-phenyloxan-4-yl)methanamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID