N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine

C20H16ClN — CID 22919017

IUPACN-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine
SMILESClc1ccc(C(/N=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16ClN/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)22-15-16-7-3-1-4-8-16/h1-15,20H/b22-15+
InChIKeyIOYOBTNLBULTED-PXLXIMEGSA-N
MW305.81 g/mol
LogP5.55
Rot. Bonds4

About N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine

N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine (PubChem CID 22919017) has the molecular formula C20H16ClN and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine
PubChem CID22919017
Molecular FormulaC20H16ClN
Molecular Weight305.81 g/mol
Exact Mass305.10
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine
SMILESClc1ccc(C(/N=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H16ClN/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)22-15-16-7-3-1-4-8-16/h1-15,20H/b22-15+
InChIKeyIOYOBTNLBULTED-PXLXIMEGSA-N
XLogP5.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N-Dibenzyl-N''-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9690663
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine
CID 155544490
N-benzhydryl-1-(4-fluorophenyl)methanimine
CID 10935135
3-chloro-5-(2-fluorophenyl)-7H-benzo[d][2]benzazepine
CID 12786646
p-Chlorobenzylidene-benzyl-amine
CID 525684
p-Chlorobenzylidene-cyclohexyl-amine
CID 525685
Phenethylamine, N-(p-chlorobenzylidene)-
CID 592516
N-(4-chlorobenzylidene)-4-chlorobenzylamine
CID 10683004
N-[[2-(4-chlorophenyl)phenyl]methyl]-2-fluorobenzenecarboximidoyl chloride
CID 9975636
N-[(1S)-1-(4-chlorophenyl)-2,2,3,3-tetrafluoropent-4-enyl]-1-phenylethanimine
CID 178251667
N-1-Adamantyl-p-chlorobenzalimine
CID 584864

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine (CID 22919017) is N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine is Clc1ccc(C(/N=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine?
The InChIKey is IOYOBTNLBULTED-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H16ClN/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)22-15-16-7-3-1-4-8-16/h1-15,20H/b22-15+.
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine?
N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine has a molecular weight of 305.81 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-1-phenylmethanimine is sourced from PubChem (CID 22919017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).