3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one

C15H20ClNO2 — CID 117452638

IUPAC3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one
SMILESCOc1c(Cl)cc(C(=O)CCN)cc1C1CCCC1
InChIInChI=1S/C15H20ClNO2/c1-19-15-12(10-4-2-3-5-10)8-11(9-13(15)16)14(18)6-7-17/h8-10H,2-7,17H2,1H3
InChIKeySJAGMPUADMHYPV-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.54
Rot. Bonds5

About 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one

3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one (PubChem CID 117452638) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one
PubChem CID117452638
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one
SMILESCOc1c(Cl)cc(C(=O)CCN)cc1C1CCCC1
InChIInChI=1S/C15H20ClNO2/c1-19-15-12(10-4-2-3-5-10)8-11(9-13(15)16)14(18)6-7-17/h8-10H,2-7,17H2,1H3
InChIKeySJAGMPUADMHYPV-UHFFFAOYSA-N
XLogP3.54
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
CID 117492816
2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol
CID 117425608
3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82296158
3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
CID 117423149
3-cyclohexyl-5-ethyl-4-methoxybenzoic acid
CID 21199331
1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)-N-methoxymethanamine
CID 117427939
2-amino-1-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanone
CID 117427475
5-(3,5-dichloro-4-methoxyphenyl)-5-oxopentanoic acid
CID 19348271
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
CID 83835408
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
3-amino-1-(6-chloro-2,3,4-trimethoxyphenyl)propan-1-one
CID 117436956
3-amino-1-(3-cycloheptylphenyl)propan-1-one
CID 117365936

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one (CID 117452638) is 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one is COc1c(Cl)cc(C(=O)CCN)cc1C1CCCC1.
What is the InChIKey of 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one?
The InChIKey is SJAGMPUADMHYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-15-12(10-4-2-3-5-10)8-11(9-13(15)16)14(18)6-7-17/h8-10H,2-7,17H2,1H3.
What are the key properties of 3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one?
3-amino-1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.54, 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-5-cyclopentyl-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117452638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).