2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine

C17H27N — CID 63415430

IUPAC2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
SMILESCc1ccc(CC(N)C2CCC(C)CC2)cc1C
InChIInChI=1S/C17H27N/c1-12-4-8-16(9-5-12)17(18)11-15-7-6-13(2)14(3)10-15/h6-7,10,12,16-17H,4-5,8-9,11,18H2,1-3H3
InChIKeyVUQVCARFLIRAEG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.00
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine

2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine (PubChem CID 63415430) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
PubChem CID63415430
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
SMILESCc1ccc(CC(N)C2CCC(C)CC2)cc1C
InChIInChI=1S/C17H27N/c1-12-4-8-16(9-5-12)17(18)11-15-7-6-13(2)14(3)10-15/h6-7,10,12,16-17H,4-5,8-9,11,18H2,1-3H3
InChIKeyVUQVCARFLIRAEG-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 63410724
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanamine
CID 69076107
2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415387
1-cyclopropyl-2-(4-methylphenyl)ethanamine
CID 60818816
(3,4-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 62549202
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65476305
1-(2-adamantyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81099428
1-(3,3-dimethylbutan-2-yl)-4-methylcyclohexane;4-(2,2-dimethylpropyl)-1,2-dimethylbenzene
CID 162223528
2-(4-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423604
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65414568
4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
CID 63543949

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine (CID 63415430) is 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine is Cc1ccc(CC(N)C2CCC(C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The InChIKey is VUQVCARFLIRAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-4-8-16(9-5-12)17(18)11-15-7-6-13(2)14(3)10-15/h6-7,10,12,16-17H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 63415430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).