1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine

C16H24ClN — CID 64730487

IUPAC1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
SMILESCC1CC(C)CC(C(C)(N)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClN/c1-11-8-12(2)10-14(9-11)16(3,18)13-4-6-15(17)7-5-13/h4-7,11-12,14H,8-10,18H2,1-3H3
InChIKeyULUWHTDCBQWHQF-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.59
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine

1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine (PubChem CID 64730487) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
PubChem CID64730487
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
SMILESCC1CC(C)CC(C(C)(N)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClN/c1-11-8-12(2)10-14(9-11)16(3,18)13-4-6-15(17)7-5-13/h4-7,11-12,14H,8-10,18H2,1-3H3
InChIKeyULUWHTDCBQWHQF-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine (CID 64730487) is 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine is CC1CC(C)CC(C(C)(N)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
The InChIKey is ULUWHTDCBQWHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-8-12(2)10-14(9-11)16(3,18)13-4-6-15(17)7-5-13/h4-7,11-12,14H,8-10,18H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine?
1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 64730487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).