2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine

C12H14ClN3 — CID 106868578

IUPAC2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine
SMILESCc1ccc(CC(N)c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-8-2-3-9(10(13)6-8)7-11(14)12-15-4-5-16-12/h2-6,11H,7,14H2,1H3,(H,15,16)
InChIKeyGPCRWGLECGPRAG-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine (PubChem CID 106868578) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine
PubChem CID106868578
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine
SMILESCc1ccc(CC(N)c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-8-2-3-9(10(13)6-8)7-11(14)12-15-4-5-16-12/h2-6,11H,7,14H2,1H3,(H,15,16)
InChIKeyGPCRWGLECGPRAG-UHFFFAOYSA-N
XLogP2.61
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 106868543
2-(2-chloro-4-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 106868880
2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
CID 106867176
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
1-(2-chloro-4-methylphenyl)-3,3-dimethylpentan-2-amine
CID 106866597

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine (CID 106868578) is 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine is Cc1ccc(CC(N)c2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine?
The InChIKey is GPCRWGLECGPRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-2-3-9(10(13)6-8)7-11(14)12-15-4-5-16-12/h2-6,11H,7,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 106868578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).