4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline

C16H17ClN2 — CID 681150

IUPAC4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline
SMILESCc1c(Cl)cccc1/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C16H17ClN2/c1-12-15(17)5-4-6-16(12)18-11-13-7-9-14(10-8-13)19(2)3/h4-11H,1-3H3/b18-11+
InChIKeyJESPCWRBPXZKAK-WOJGMQOQSA-N
MW272.78 g/mol
LogP4.47
Rot. Bonds3

About 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline

4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline (PubChem CID 681150) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline
PubChem CID681150
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline
SMILESCc1c(Cl)cccc1/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C16H17ClN2/c1-12-15(17)5-4-6-16(12)18-11-13-7-9-14(10-8-13)19(2)3/h4-11H,1-3H3/b18-11+
InChIKeyJESPCWRBPXZKAK-WOJGMQOQSA-N
XLogP4.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Basic Blue 1
CID 107404
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 10338126
N-[p-(Dimethylamino)benzylidene]aniline
CID 234157
Butyl-[7-chloro-1-(3-phenyl-propyl)-1H-quinolin-(4E)-ylidene]-amine
CID 10247467
Benzenamine, N,N-dimethyl-4-[[(4-methylphenyl)imino]methyl]-
CID 915196
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-propyl-amine
CID 9796735
1-benzyl-7-chloro-N-propylquinolin-4-imine;hydrochloride
CID 9884639
2-[[7-chloro-1-[(2-chlorophenyl)methyl]quinolin-4-ylidene]amino]-N,N-diethylethanamine
CID 44298555
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-isobutyl-amine
CID 44298601
[7-Chloro-1-(4-chloro-benzyl)-1H-quinolin-(4E)-ylidene]-hexyl-amine
CID 44298968
N,N'-Bis-(4-dimethylaminobenzylidene)-ethylenediamine
CID 292338
[1-Benzyl-7-chloro-1H-quinolin-(4E)-ylidene]-pentyl-amine
CID 9974422

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline (CID 681150) is 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline is Cc1c(Cl)cccc1/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline?
The InChIKey is JESPCWRBPXZKAK-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-12-15(17)5-4-6-16(12)18-11-13-7-9-14(10-8-13)19(2)3/h4-11H,1-3H3/b18-11+.
What are the key properties of 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline?
4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline has a molecular weight of 272.78 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methylphenyl)iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 681150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).