2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine

C18H29N — CID 79007933

IUPAC2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H29N/c1-4-18(19,13-16-8-6-5-7-9-16)17-11-14(2)10-15(3)12-17/h5-9,14-15,17H,4,10-13,19H2,1-3H3
InChIKeyAFISAMCNSJXNRM-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.41
Rot. Bonds4

About 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine

2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine (PubChem CID 79007933) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine
PubChem CID79007933
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine
SMILESCCC(N)(Cc1ccccc1)C1CC(C)CC(C)C1
InChIInChI=1S/C18H29N/c1-4-18(19,13-16-8-6-5-7-9-16)17-11-14(2)10-15(3)12-17/h5-9,14-15,17H,4,10-13,19H2,1-3H3
InChIKeyAFISAMCNSJXNRM-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylcyclohexyl)-1-(4-ethylphenyl)ethanamine
CID 64728477
3-benzylhexan-3-amine
CID 79007389
2-benzyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 79008084
2,2-difluorobutylbenzene
CID 12695736
(2-ethyl-2-methylbutyl)benzene
CID 123641908
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
2-benzyl-1-(2-bicyclo[2.2.1]heptanyl)butan-2-amine
CID 79557833
azane;2,2-dimethylbutylbenzene
CID 175285583
2-(oxiran-2-yl)-1-phenylpropan-2-amine
CID 87554885
1-(3,4-dimethylcyclohexyl)-1-phenylpropan-1-amine
CID 64738011
trans-(1S,2S)-2-(1-amino-1-carboxy-2-phenylethyl)cyclopropane-1-carboxylic acid
CID 10705747
2-(2-fluorophenyl)-1-phenylbutan-2-amine
CID 79007656

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine (CID 79007933) is 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine is CCC(N)(Cc1ccccc1)C1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine?
The InChIKey is AFISAMCNSJXNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-18(19,13-16-8-6-5-7-9-16)17-11-14(2)10-15(3)12-17/h5-9,14-15,17H,4,10-13,19H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine?
2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79007933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).