2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine

C16H25N — CID 117335176

IUPAC2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
SMILESCC1CCC(c2ccc(C(C)(C)N)cc2)CC1
InChIInChI=1S/C16H25N/c1-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(2,3)17/h8-13H,4-7,17H2,1-3H3
InChIKeyUJCXCIRMLRRZAV-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.17
Rot. Bonds2

About 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine

2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine (PubChem CID 117335176) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
PubChem CID117335176
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine
SMILESCC1CCC(c2ccc(C(C)(C)N)cc2)CC1
InChIInChI=1S/C16H25N/c1-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(2,3)17/h8-13H,4-7,17H2,1-3H3
InChIKeyUJCXCIRMLRRZAV-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-methylcyclohexyl)phenyl]propan-2-ol
CID 117336939
2-[4-(thietan-3-yl)phenyl]propan-2-amine
CID 117296889
difluoro-[4-(4-methylcyclohexyl)phenyl]methanol
CID 70852484
1-tert-butyl-4-(3-methylcyclopentyl)benzene
CID 21137198
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
CID 89089279
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
2-(4-methylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500358
4-(4-methylcyclohexyl)benzoic acid
CID 56632428
1-(4-methylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]benzene
CID 20539281
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine (CID 117335176) is 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine is CC1CCC(c2ccc(C(C)(C)N)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine?
The InChIKey is UJCXCIRMLRRZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(2,3)17/h8-13H,4-7,17H2,1-3H3.
What are the key properties of 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine?
2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylcyclohexyl)phenyl]propan-2-amine is sourced from PubChem (CID 117335176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).