4-amino-4-(4-cyclohexylphenyl)butan-2-one

C16H23NO — CID 116940518

IUPAC4-amino-4-(4-cyclohexylphenyl)butan-2-one
SMILESCC(=O)CC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-12(18)11-16(17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13,16H,2-6,11,17H2,1H3
InChIKeyHRIMCIJPMDOGPO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.71
Rot. Bonds4

About 4-amino-4-(4-cyclohexylphenyl)butan-2-one

4-amino-4-(4-cyclohexylphenyl)butan-2-one (PubChem CID 116940518) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-amino-4-(4-cyclohexylphenyl)butan-2-one.

Molecular Properties

Compound Name4-amino-4-(4-cyclohexylphenyl)butan-2-one
PubChem CID116940518
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-amino-4-(4-cyclohexylphenyl)butan-2-one
SMILESCC(=O)CC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-12(18)11-16(17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13,16H,2-6,11,17H2,1H3
InChIKeyHRIMCIJPMDOGPO-UHFFFAOYSA-N
XLogP3.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-4-(4-cyclohexylphenyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949
1-(4-cyclohexylphenyl)-3-methylbutane-1,3-diamine
CID 116933539
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
1-(4-cyclohexylphenyl)hexan-1-amine
CID 43125388
1-(4-cyclohexylphenyl)-3-methylbutane-1,4-diamine
CID 116934155
1-(4-cyclohexylphenyl)butane-1,4-diamine
CID 116933691
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
CID 105044925

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-cyclohexylphenyl)butan-2-one?
The IUPAC name of 4-amino-4-(4-cyclohexylphenyl)butan-2-one (CID 116940518) is 4-amino-4-(4-cyclohexylphenyl)butan-2-one.
What is the SMILES notation for 4-amino-4-(4-cyclohexylphenyl)butan-2-one?
The canonical SMILES for 4-amino-4-(4-cyclohexylphenyl)butan-2-one is CC(=O)CC(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-amino-4-(4-cyclohexylphenyl)butan-2-one?
The InChIKey is HRIMCIJPMDOGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(18)11-16(17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13,16H,2-6,11,17H2,1H3.
What are the key properties of 4-amino-4-(4-cyclohexylphenyl)butan-2-one?
4-amino-4-(4-cyclohexylphenyl)butan-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-cyclohexylphenyl)butan-2-one is sourced from PubChem (CID 116940518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).