N-[(E)-(3-chlorophenyl)methylideneamino]aniline

C13H11ClN2 — CID 12732295

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]aniline
SMILESClc1cccc(/C=N/Nc2ccccc2)c1
InChIInChI=1S/C13H11ClN2/c14-12-6-4-5-11(9-12)10-15-16-13-7-2-1-3-8-13/h1-10,16H/b15-10+
InChIKeyQHHCTGXFEUEGSW-XNTDXEJSSA-N
MW230.70 g/mol
LogP3.79
Rot. Bonds3

About N-[(E)-(3-chlorophenyl)methylideneamino]aniline

N-[(E)-(3-chlorophenyl)methylideneamino]aniline (PubChem CID 12732295) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]aniline
PubChem CID12732295
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]aniline
SMILESClc1cccc(/C=N/Nc2ccccc2)c1
InChIInChI=1S/C13H11ClN2/c14-12-6-4-5-11(9-12)10-15-16-13-7-2-1-3-8-13/h1-10,16H/b15-10+
InChIKeyQHHCTGXFEUEGSW-XNTDXEJSSA-N
XLogP3.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.79
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'}

Analyze N-[(E)-(3-chlorophenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135730470
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
N-[(3-methylsulfanylphenyl)methylideneamino]aniline
CID 169381797
3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 13399292
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline
CID 8972812
4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 1386432
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]aniline (CID 12732295) is N-[(E)-(3-chlorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]aniline is Clc1cccc(/C=N/Nc2ccccc2)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]aniline?
The InChIKey is QHHCTGXFEUEGSW-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-12-6-4-5-11(9-12)10-15-16-13-7-2-1-3-8-13/h1-10,16H/b15-10+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]aniline?
N-[(E)-(3-chlorophenyl)methylideneamino]aniline has a molecular weight of 230.70 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]aniline is sourced from PubChem (CID 12732295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).