1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine

C17H27N — CID 64748374

IUPAC1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
SMILESCc1ccc(C(C)(N)C2CCC(C)CC2)cc1C
InChIInChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(4,18)16-10-7-13(2)14(3)11-16/h7,10-12,15H,5-6,8-9,18H2,1-4H3
InChIKeyYZDXUOBAXCCOMI-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.30
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine

1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine (PubChem CID 64748374) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
PubChem CID64748374
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
SMILESCc1ccc(C(C)(N)C2CCC(C)CC2)cc1C
InChIInChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(4,18)16-10-7-13(2)14(3)11-16/h7,10-12,15H,5-6,8-9,18H2,1-4H3
InChIKeyYZDXUOBAXCCOMI-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine (CID 64748374) is 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine is Cc1ccc(C(C)(N)C2CCC(C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The InChIKey is YZDXUOBAXCCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(4,18)16-10-7-13(2)14(3)11-16/h7,10-12,15H,5-6,8-9,18H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 64748374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).