1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine

C17H27N — CID 64738011

IUPAC1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H27N/c1-4-17(18,15-8-6-5-7-9-15)16-11-10-13(2)14(3)12-16/h5-9,13-14,16H,4,10-12,18H2,1-3H3
InChIKeyNQLIEFPNSRKKKG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.32
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine

1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine (PubChem CID 64738011) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine
PubChem CID64738011
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H27N/c1-4-17(18,15-8-6-5-7-9-15)16-11-10-13(2)14(3)12-16/h5-9,13-14,16H,4,10-12,18H2,1-3H3
InChIKeyNQLIEFPNSRKKKG-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylcyclohexyl)-1-(2-fluorophenyl)propan-1-amine
CID 112679566
1-(3,4-dimethylcyclohexyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112586065
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-1-phenylpropan-1-amine
CID 79908078
1-cyclopentyl-1-(3-fluorophenyl)propan-1-amine
CID 114872823
1-amino-3-(3,4-dimethylcyclohexyl)oxy-2-phenylpropan-2-ol
CID 64813393
[1-bromo-2-(3,4-dimethylcyclohexyl)oxypropan-2-yl]benzene
CID 114774396
1-(oxan-3-yl)-1-phenylbutan-1-amine
CID 107135814
6-cyclobutyl-3-ethyl-2-methyl-2-phenylhexan-3-amine
CID 134331700
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563
2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine
CID 79007933
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
3-(3,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807323

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine (CID 64738011) is 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine is CCC(N)(c1ccccc1)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine?
The InChIKey is NQLIEFPNSRKKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-17(18,15-8-6-5-7-9-15)16-11-10-13(2)14(3)12-16/h5-9,13-14,16H,4,10-12,18H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine?
1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 64738011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).