3-(4-cyclohexylphenyl)-2-methylpropan-1-amine

C16H25N — CID 116924713

IUPAC3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H25N/c1-13(12-17)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12,17H2,1H3
InChIKeyCFLPZCAQNJUBDD-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.87
Rot. Bonds4

About 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine

3-(4-cyclohexylphenyl)-2-methylpropan-1-amine (PubChem CID 116924713) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
PubChem CID116924713
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(4-cyclohexylphenyl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H25N/c1-13(12-17)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12,17H2,1H3
InChIKeyCFLPZCAQNJUBDD-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
1-(4-cyclohexylphenyl)-N-methylpropan-2-amine
CID 82262296
1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
CID 116934155
(4-cyclohexylphenyl)methanamine
CID 22246867
5-(4-cyclopentylphenyl)-4-methylpentanoic acid
CID 70538154
1-(4-cyclopropylphenyl)propan-2-amine
CID 79983899
2-(4-cyclohexylphenyl)-1-(methylamino)ethanol
CID 175264213
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
2-(4-cyclobutylphenyl)propan-1-amine
CID 116507054

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine (CID 116924713) is 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine is CC(CN)Cc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine?
The InChIKey is CFLPZCAQNJUBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(12-17)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12,17H2,1H3.
What are the key properties of 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine?
3-(4-cyclohexylphenyl)-2-methylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116924713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).