4-(4-chloro-2-methylphenyl)cyclohexan-1-amine

C13H18ClN — CID 134447858

IUPAC4-(4-chloro-2-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(Cl)ccc1C1CCC(N)CC1
InChIInChI=1S/C13H18ClN/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h4,7-8,10,12H,2-3,5-6,15H2,1H3
InChIKeyUILZGZCQCSSTIW-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.63
Rot. Bonds1

About 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine

4-(4-chloro-2-methylphenyl)cyclohexan-1-amine (PubChem CID 134447858) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)cyclohexan-1-amine
PubChem CID134447858
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name4-(4-chloro-2-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(Cl)ccc1C1CCC(N)CC1
InChIInChI=1S/C13H18ClN/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h4,7-8,10,12H,2-3,5-6,15H2,1H3
InChIKeyUILZGZCQCSSTIW-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine (CID 134447858) is 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine is Cc1cc(Cl)ccc1C1CCC(N)CC1.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine?
The InChIKey is UILZGZCQCSSTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-8-11(14)4-7-13(9)10-2-5-12(15)6-3-10/h4,7-8,10,12H,2-3,5-6,15H2,1H3.
What are the key properties of 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine?
4-(4-chloro-2-methylphenyl)cyclohexan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 134447858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).