2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine

C17H27N — CID 63415387

IUPAC2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
SMILESCc1ccc(C)c(CC(N)C2CCC(C)CC2)c1
InChIInChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(18)11-16-10-13(2)4-7-14(16)3/h4,7,10,12,15,17H,5-6,8-9,11,18H2,1-3H3
InChIKeyPKIBDEXOEKQHSJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.00
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine

2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine (PubChem CID 63415387) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
PubChem CID63415387
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
SMILESCc1ccc(C)c(CC(N)C2CCC(C)CC2)c1
InChIInChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(18)11-16-10-13(2)4-7-14(16)3/h4,7,10,12,15,17H,5-6,8-9,11,18H2,1-3H3
InChIKeyPKIBDEXOEKQHSJ-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-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105101180
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65410217
2-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415430
3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
CID 83154335
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65413547
2-(2,5-dimethylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65405157
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116723227
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine (CID 63415387) is 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine is Cc1ccc(C)c(CC(N)C2CCC(C)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
The InChIKey is PKIBDEXOEKQHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(18)11-16-10-13(2)4-7-14(16)3/h4,7,10,12,15,17H,5-6,8-9,11,18H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine?
2-(2,5-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-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 63415387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).