2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde

C16H15ClN2O — CID 143179345

IUPAC2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde
SMILES[H]/N=C(\C=O)c1ccccc1NCc1ccc(Cl)cc1C
InChIInChI=1S/C16H15ClN2O/c1-11-8-13(17)7-6-12(11)9-19-16-5-3-2-4-14(16)15(18)10-20/h2-8,10,18-19H,9H2,1H3/b18-15+
InChIKeyNFDGSTBBFHBSLE-OBGWFSINSA-N
MW286.76 g/mol
LogP3.83
Rot. Bonds5

About 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde

2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde (PubChem CID 143179345) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde.

Molecular Properties

Compound Name2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde
PubChem CID143179345
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde
SMILES[H]/N=C(\C=O)c1ccccc1NCc1ccc(Cl)cc1C
InChIInChI=1S/C16H15ClN2O/c1-11-8-13(17)7-6-12(11)9-19-16-5-3-2-4-14(16)15(18)10-20/h2-8,10,18-19H,9H2,1H3/b18-15+
InChIKeyNFDGSTBBFHBSLE-OBGWFSINSA-N
XLogP3.83
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde 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

3-[(4-chloro-2-methylphenyl)methylamino]-N,2-dimethylbenzamide
CID 104853999
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
N-[(2,4-dichlorophenyl)methyl]-2-methylaniline
CID 28557135
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
5-chloro-2-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 62492832
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
CID 104854030
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
1-[(4-chloro-2-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 104854183
methyl (E)-4-[2-[(2,4-dichlorophenyl)methylamino]-4-methylsulfonylphenyl]-4-iminobut-2-enoate
CID 143192011
6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 114075588

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde?
The IUPAC name of 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde (CID 143179345) is 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde.
What is the SMILES notation for 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde?
The canonical SMILES for 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde is [H]/N=C(\C=O)c1ccccc1NCc1ccc(Cl)cc1C.
What is the InChIKey of 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde?
The InChIKey is NFDGSTBBFHBSLE-OBGWFSINSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-8-13(17)7-6-12(11)9-19-16-5-3-2-4-14(16)15(18)10-20/h2-8,10,18-19H,9H2,1H3/b18-15+.
What are the key properties of 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde?
2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde has a molecular weight of 286.76 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-2-methylphenyl)methylamino]phenyl]-2-iminoacetaldehyde is sourced from PubChem (CID 143179345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).