2-chloro-N-methylaniline;ethene

C9H12ClN — CID 142416453

IUPAC2-chloro-N-methylaniline;ethene
SMILESC=C.CNc1ccccc1Cl
InChIInChI=1S/C7H8ClN.C2H4/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5,9H,1H3;1-2H2
InChIKeyZIRAAWJIDFYWBC-UHFFFAOYSA-N
MW169.65 g/mol
LogP3.18
Rot. Bonds1

About 2-chloro-N-methylaniline;ethene

2-chloro-N-methylaniline;ethene (PubChem CID 142416453) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is 2-chloro-N-methylaniline;ethene.

Molecular Properties

Compound Name2-chloro-N-methylaniline;ethene
PubChem CID142416453
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name2-chloro-N-methylaniline;ethene
SMILESC=C.CNc1ccccc1Cl
InChIInChI=1S/C7H8ClN.C2H4/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5,9H,1H3;1-2H2
InChIKeyZIRAAWJIDFYWBC-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methylaniline;ethene 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

(2-chloroanilino)azanium
CID 3859073
CID 87095931
CID 87095931
3-chloro-N-methyl-2-(trifluoromethyl)aniline
CID 67814646
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
1-(2-chloroanilino)-2-methylbut-3-en-2-ol
CID 13123252
2-(1-chloroethenyl)-N-methylaniline
CID 123755140
1-chloro-2-methylbenzene;ethene
CID 142088810
N,2-dimethylaniline
CID 163768915
2,4-dichloro-N-methylaniline
CID 2800935
2-chloro-6-(methylamino)benzamide
CID 58906344
3-chloro-N-methyl-2-phenylmethoxyaniline
CID 144838514
N-(2-chlorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylaniline;ethene?
The IUPAC name of 2-chloro-N-methylaniline;ethene (CID 142416453) is 2-chloro-N-methylaniline;ethene.
What is the SMILES notation for 2-chloro-N-methylaniline;ethene?
The canonical SMILES for 2-chloro-N-methylaniline;ethene is C=C.CNc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-methylaniline;ethene?
The InChIKey is ZIRAAWJIDFYWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.C2H4/c1-9-7-5-3-2-4-6(7)8;1-2/h2-5,9H,1H3;1-2H2.
What are the key properties of 2-chloro-N-methylaniline;ethene?
2-chloro-N-methylaniline;ethene has a molecular weight of 169.65 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylaniline;ethene is sourced from PubChem (CID 142416453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).