5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine

C17H27N — CID 60795200

IUPAC5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCc1ccccc1C1(N)CC(C)CCC1C(C)C
InChIInChI=1S/C17H27N/c1-12(2)15-10-9-13(3)11-17(15,18)16-8-6-5-7-14(16)4/h5-8,12-13,15H,9-11,18H2,1-4H3
InChIKeyMJWJWEOPIWLUEG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.24
Rot. Bonds2

About 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine

5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 60795200) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID60795200
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCc1ccccc1C1(N)CC(C)CCC1C(C)C
InChIInChI=1S/C17H27N/c1-12(2)15-10-9-13(3)11-17(15,18)16-8-6-5-7-14(16)4/h5-8,12-13,15H,9-11,18H2,1-4H3
InChIKeyMJWJWEOPIWLUEG-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-isoquinolin-4-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63939381
1-(2,6-dimethoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 116809881
5-methyl-2-propan-2-yl-1-(4-propan-2-ylphenyl)cyclohexan-1-amine
CID 63407409
5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861215
5-methyl-2-propan-2-yl-1-thiophen-3-ylcyclohexan-1-amine
CID 65099743
1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 106880612
5-methyl-2-propan-2-yl-1-quinolin-3-ylcyclohexan-1-amine
CID 60924184
1-(3,5-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63407873
1-(3-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 60795197
(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 156552436
1-(2-chlorophenyl)-2,5-dimethylcyclohexan-1-amine
CID 64761387
1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114601039

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine (CID 60795200) is 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine is Cc1ccccc1C1(N)CC(C)CCC1C(C)C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is MJWJWEOPIWLUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)15-10-9-13(3)11-17(15,18)16-8-6-5-7-14(16)4/h5-8,12-13,15H,9-11,18H2,1-4H3.
What are the key properties of 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine?
5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 60795200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).