2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine

C15H22ClNO — CID 81014545

IUPAC2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCOc1cc(C2CC(C)(C)CCC2N)ccc1Cl
InChIInChI=1S/C15H22ClNO/c1-15(2)7-6-13(17)11(9-15)10-4-5-12(16)14(8-10)18-3/h4-5,8,11,13H,6-7,9,17H2,1-3H3
InChIKeyUAMXMFNEHXGWBP-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.97
Rot. Bonds2

About 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine

2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 81014545) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID81014545
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
SMILESCOc1cc(C2CC(C)(C)CCC2N)ccc1Cl
InChIInChI=1S/C15H22ClNO/c1-15(2)7-6-13(17)11(9-15)10-4-5-12(16)14(8-10)18-3/h4-5,8,11,13H,6-7,9,17H2,1-3H3
InChIKeyUAMXMFNEHXGWBP-UHFFFAOYSA-N
XLogP3.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine (CID 81014545) is 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine is COc1cc(C2CC(C)(C)CCC2N)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is UAMXMFNEHXGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2)7-6-13(17)11(9-15)10-4-5-12(16)14(8-10)18-3/h4-5,8,11,13H,6-7,9,17H2,1-3H3.
What are the key properties of 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine?
2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81014545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).