CAS 4116-06-7|N-Benzylidene-alpha,alpha-dimethyl-4-fluorophenethylamine|[1-(4-fluorophenyl)-2-methylpropan-2-yl](phenylmethylidene)amine|[1-(4-fluorophenyl)-2-methylpropan-2-yl](phenylmethylidene)am...

General Information

Structure

Molecular Formula

C₁₇H₁₈FN

Molecular Mass

255.3299232

Exact Mass

255.1423278

Charge

InChI

InChI=1S/C17H18FN/c1-17(2,12-14-8-10-16(18)11-9-14)19-13-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3

InChIKey

HPAANHNPBCGDLR-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)CC(/N=C/c1ccccc1)(C)C

Isomeric Smiles

N(=C\c1ccccc1)/C(Cc1ccc(cc1)F)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6538997

LogD (pH = 7.4)

4.337638

Log P

4.7750735

Molar Refractivity

78.2368

Polarizability

29.431812

Polar Surface Area

12.36

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N-Benzylidene-alpha,alpha-dimethyl-4-fluorophenethylamineN-Benzylidene-1-(4-fluorophenyl)-2-methylpropan-2-amineN-苯亚甲基-1,1-二甲基-2-(4-氟苯基)乙胺N-Benzylidene-1,1-dimethyl-2-(4-fluorophenyl)ethylamineN-Benzylidene-1-(4-fluorophenyl)-2-amino-2-methylpropane

IUPAC name

[1-(4-fluorophenyl)-2-methylpropan-2-yl](phenylmethylidene)amine (E)-[1-(4-fluorophenyl)-2-methylpropan-2-yl](phenylmethylidene)amine

IUPAC Traditional name

[1-(4-fluorophenyl)-2-methylpropan-2-yl](phenylmethylidene)amine (E)-[1-(4-fluorophenyl)-2-methylpropan-2-yl](phenylmethylidene)amine

Names and Identifiers

Registration numbers

PubChem SID

162085061

PubChem CID

4991887

CAS Number

4116-06-7