1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine

C13H17Cl2N — CID 62788342

IUPAC1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H17Cl2N/c1-9-5-7-13(16,8-6-9)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8,16H2,1H3
InChIKeyKYNJDNPJTIZYQY-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.36
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine

1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine (PubChem CID 62788342) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine
PubChem CID62788342
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C13H17Cl2N/c1-9-5-7-13(16,8-6-9)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8,16H2,1H3
InChIKeyKYNJDNPJTIZYQY-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-3,4-dimethylcyclohexan-1-amine
CID 64733390
1-(2,3-dichlorophenyl)cyclopentan-1-amine
CID 62788667
1-(2-chloro-5-fluorophenyl)-4-methylcyclohexan-1-amine
CID 105394080
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
4-methyl-1-naphthalen-1-ylcycloheptan-1-amine
CID 65081240
1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
CID 61029803
1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
CID 55119185
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
2-(1-aminocyclopropyl)-6-chlorophenol
CID 84732624
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
1-(2-chlorophenyl)-2-methylcyclobutan-1-amine
CID 66431566

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine (CID 62788342) is 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine is CC1CCC(N)(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine?
The InChIKey is KYNJDNPJTIZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-9-5-7-13(16,8-6-9)10-3-2-4-11(14)12(10)15/h2-4,9H,5-8,16H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine?
1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62788342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).