1-(2-chlorophenyl)-3-methylcyclohexan-1-amine

C13H18ClN — CID 61029803

IUPAC1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2ccccc2Cl)C1
InChIInChI=1S/C13H18ClN/c1-10-5-4-8-13(15,9-10)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9,15H2,1H3
InChIKeyZBYXSXLXHNYMOZ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.70
Rot. Bonds1

About 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine

1-(2-chlorophenyl)-3-methylcyclohexan-1-amine (PubChem CID 61029803) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
PubChem CID61029803
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2ccccc2Cl)C1
InChIInChI=1S/C13H18ClN/c1-10-5-4-8-13(15,9-10)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9,15H2,1H3
InChIKeyZBYXSXLXHNYMOZ-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
trans-(1S,3R)-3-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259850
1-(2-chlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514342
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
CID 64761387
2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
CID 145314644
1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine
CID 105452538
1-(2-chlorophenyl)-2-methylcyclobutan-1-amine
CID 66431566
1-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 64516240
cis-(2R,6R)-2-amino-2-(2-chlorophenyl)-6-hydroxycyclohexan-1-one;cis-(2S,6S)-2-amino-2-(2-chlorophenyl)-6-methylcyclohexan-1-one
CID 157474660
1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 62788342
1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733390
1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 103432752

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine (CID 61029803) is 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine?
The InChIKey is ZBYXSXLXHNYMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10-5-4-8-13(15,9-10)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9,15H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine?
1-(2-chlorophenyl)-3-methylcyclohexan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 61029803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).