N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine

C14H13ClN2 — CID 134092995

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
SMILESClc1ccc(/C=N/NCc2ccccc2)cc1
InChIInChI=1S/C14H13ClN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2/b17-11+
InChIKeyOJGZHGPNZQTBMF-GZTJUZNOSA-N
MW244.73 g/mol
LogP3.46
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine

N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine (PubChem CID 134092995) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
PubChem CID134092995
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
SMILESClc1ccc(/C=N/NCc2ccccc2)cc1
InChIInChI=1S/C14H13ClN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2/b17-11+
InChIKeyOJGZHGPNZQTBMF-GZTJUZNOSA-N
XLogP3.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839836
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839719
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839808
N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
CID 110839639
N-[(4-cyclopentyloxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839835
1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
CID 110839910
N-benzyl-4-chloroaniline chloride
CID 45109713
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839693
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
[4-[(E)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659564
N-[(4-methylphenyl)methylideneamino]-1-pyridin-4-ylmethanamine
CID 141433789

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine (CID 134092995) is N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine is Clc1ccc(/C=N/NCc2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine?
The InChIKey is OJGZHGPNZQTBMF-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-14-8-6-13(7-9-14)11-17-16-10-12-4-2-1-3-5-12/h1-9,11,16H,10H2/b17-11+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine?
N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine has a molecular weight of 244.73 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 134092995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).