1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine

C18H29N — CID 64738041

IUPAC1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)C2CCC(C)C(C)C2)c1
InChIInChI=1S/C18H29N/c1-12-7-13(2)9-16(8-12)11-18(19)17-6-5-14(3)15(4)10-17/h7-9,14-15,17-18H,5-6,10-11,19H2,1-4H3
InChIKeyUQLFQKUCUYHIRS-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.25
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine

1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine (PubChem CID 64738041) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine
PubChem CID64738041
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)C2CCC(C)C(C)C2)c1
InChIInChI=1S/C18H29N/c1-12-7-13(2)9-16(8-12)11-18(19)17-6-5-14(3)15(4)10-17/h7-9,14-15,17-18H,5-6,10-11,19H2,1-4H3
InChIKeyUQLFQKUCUYHIRS-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine (CID 64738041) is 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(CC(N)C2CCC(C)C(C)C2)c1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine?
The InChIKey is UQLFQKUCUYHIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12-7-13(2)9-16(8-12)11-18(19)17-6-5-14(3)15(4)10-17/h7-9,14-15,17-18H,5-6,10-11,19H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine?
1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 64738041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).