3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one

C18H27NO2 — CID 62613172

IUPAC3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(CCO)C2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-15-7-9-16(10-8-15)18(21)11-12-19(13-14-20)17-5-3-2-4-6-17/h7-10,17,20H,2-6,11-14H2,1H3
InChIKeyLCDIIBWXCZIFPE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.19
Rot. Bonds7

About 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one

3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 62613172) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID62613172
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN(CCO)C2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-15-7-9-16(10-8-15)18(21)11-12-19(13-14-20)17-5-3-2-4-6-17/h7-10,17,20H,2-6,11-14H2,1H3
InChIKeyLCDIIBWXCZIFPE-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-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

3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 102848375
3-[cycloheptyl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62612486
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62619727
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol
CID 62014088
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
4-[cyclohexyl(2-hydroxyethyl)amino]-N-(2,4,6-trimethylphenyl)butanamide
CID 78820568
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 102864574
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62035131

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one (CID 62613172) is 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCN(CCO)C2CCCCC2)cc1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is LCDIIBWXCZIFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-15-7-9-16(10-8-15)18(21)11-12-19(13-14-20)17-5-3-2-4-6-17/h7-10,17,20H,2-6,11-14H2,1H3.
What are the key properties of 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one?
3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62613172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).