[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone

C15H21NO3 — CID 116600946

IUPAC[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2(CN)CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-12-7-11(8-13(9-12)19-2)14(17)15(10-16)5-3-4-6-15/h7-9H,3-6,10,16H2,1-2H3
InChIKeyRDKLBXLTIZYYNQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.41
Rot. Bonds5

About [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone

[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 116600946) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
PubChem CID116600946
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2(CN)CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-12-7-11(8-13(9-12)19-2)14(17)15(10-16)5-3-4-6-15/h7-9H,3-6,10,16H2,1-2H3
InChIKeyRDKLBXLTIZYYNQ-UHFFFAOYSA-N
XLogP2.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone 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-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
[1-(aminomethyl)cyclopropyl]-(3-ethoxyphenyl)methanone
CID 116601381
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
[1-(aminomethyl)cyclohexyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116600667
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone (CID 116600946) is [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)C2(CN)CCCC2)c1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is RDKLBXLTIZYYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-12-7-11(8-13(9-12)19-2)14(17)15(10-16)5-3-4-6-15/h7-9H,3-6,10,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone?
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 116600946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).