3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one

C14H18ClNO2 — CID 117423149

IUPAC3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
SMILESNCCC(=O)c1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c15-12-9-10(13(17)7-8-16)5-6-14(12)18-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2
InChIKeyDYYMEPXTIXZLOV-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.19
Rot. Bonds5

About 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one

3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one (PubChem CID 117423149) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
PubChem CID117423149
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
SMILESNCCC(=O)c1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c15-12-9-10(13(17)7-8-16)5-6-14(12)18-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2
InChIKeyDYYMEPXTIXZLOV-UHFFFAOYSA-N
XLogP3.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)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-amino-1-[3-chloro-4-(oxetan-3-yloxy)phenyl]propan-1-one
CID 115005377
3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride
CID 23195924
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
ethyl 2-(3-chloro-4-cyclopropyloxyphenyl)-2-oxoacetate
CID 117425135
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
CID 117312431
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
CID 117415452
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone
CID 20735197

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one (CID 117423149) is 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one is NCCC(=O)c1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one?
The InChIKey is DYYMEPXTIXZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-9-10(13(17)7-8-16)5-6-14(12)18-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2.
What are the key properties of 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one?
3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one has a molecular weight of 267.76 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one is sourced from PubChem (CID 117423149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).