3-chloro-N-ethenyl-4-methylaniline

C9H10ClN — CID 143627294

IUPAC3-chloro-N-ethenyl-4-methylaniline
SMILESC=CNc1ccc(C)c(Cl)c1
InChIInChI=1S/C9H10ClN/c1-3-11-8-5-4-7(2)9(10)6-8/h3-6,11H,1H2,2H3
InChIKeyPLZJPLUHGURBQQ-UHFFFAOYSA-N
MW167.64 g/mol
LogP3.20
Rot. Bonds2

About 3-chloro-N-ethenyl-4-methylaniline

3-chloro-N-ethenyl-4-methylaniline (PubChem CID 143627294) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 3-chloro-N-ethenyl-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-ethenyl-4-methylaniline
PubChem CID143627294
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name3-chloro-N-ethenyl-4-methylaniline
SMILESC=CNc1ccc(C)c(Cl)c1
InChIInChI=1S/C9H10ClN/c1-3-11-8-5-4-7(2)9(10)6-8/h3-6,11H,1H2,2H3
InChIKeyPLZJPLUHGURBQQ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-methylanilino)prop-2-enoic acid
CID 4755178
2-(3-chloro-4-methylanilino)but-3-enoic acid
CID 130492316
3-chloro-4-methyl-N-(propylideneamino)aniline
CID 110842508
4-N-(3-chloro-4-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43436245
4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 55195164
methyl (E)-3-(3-chloro-4-methylanilino)-2-cyanoprop-2-enoate
CID 17138319
2-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 107106269
2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(3-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 19177488
3-chloro-4-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 64553780
2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 55195359

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethenyl-4-methylaniline?
The IUPAC name of 3-chloro-N-ethenyl-4-methylaniline (CID 143627294) is 3-chloro-N-ethenyl-4-methylaniline.
What is the SMILES notation for 3-chloro-N-ethenyl-4-methylaniline?
The canonical SMILES for 3-chloro-N-ethenyl-4-methylaniline is C=CNc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethenyl-4-methylaniline?
The InChIKey is PLZJPLUHGURBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c1-3-11-8-5-4-7(2)9(10)6-8/h3-6,11H,1H2,2H3.
What are the key properties of 3-chloro-N-ethenyl-4-methylaniline?
3-chloro-N-ethenyl-4-methylaniline has a molecular weight of 167.64 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethenyl-4-methylaniline is sourced from PubChem (CID 143627294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).