2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine

C16H25N — CID 81013335

IUPAC2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccccc1C1CC(C(C)C)CCC1N
InChIInChI=1S/C16H25N/c1-11(2)13-8-9-16(17)15(10-13)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10,17H2,1-3H3
InChIKeyDWHFUKGSFFPCFV-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.86
Rot. Bonds2

About 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine

2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 81013335) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID81013335
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccccc1C1CC(C(C)C)CCC1N
InChIInChI=1S/C16H25N/c1-11(2)13-8-9-16(17)15(10-13)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10,17H2,1-3H3
InChIKeyDWHFUKGSFFPCFV-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069
2-[2-methyl-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
CID 102756361
2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013651
2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014847
4-(2-methylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83539442
2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014080
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
[2-(2,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011736
4-methyl-3-(2-methylphenyl)cyclohexan-1-amine
CID 165497411
3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 165374450
3-(2-methylphenyl)-1,1-dioxothian-4-amine
CID 84799838
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine (CID 81013335) is 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine is Cc1ccccc1C1CC(C(C)C)CCC1N.
What is the InChIKey of 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is DWHFUKGSFFPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)13-8-9-16(17)15(10-13)14-7-5-4-6-12(14)3/h4-7,11,13,15-16H,8-10,17H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine?
2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81013335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).