[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone

C12H14ClNO2 — CID 116921260

IUPAC[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(CN)CC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO2/c1-16-8-2-3-9(10(13)6-8)11(15)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3
InChIKeyVIICRNXEDOOOEW-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.27
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone

[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone (PubChem CID 116921260) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone
PubChem CID116921260
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(CN)CC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO2/c1-16-8-2-3-9(10(13)6-8)11(15)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3
InChIKeyVIICRNXEDOOOEW-UHFFFAOYSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)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-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxy-3-methylphenyl)methanone
CID 116921253
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
[1-(aminomethyl)cyclopropyl]-(2-methoxy-3,5-dimethylphenyl)methanone
CID 116921250
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
2-[1-(2,4-dichlorobenzoyl)cyclopropyl]acetaldehyde
CID 158620100
1-(2-chloro-4-methoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918735
1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
CID 95447653
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
4-amino-1-(2-chloro-4-methoxyphenyl)pentan-1-one
CID 116916226

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone (CID 116921260) is [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2(CN)CC2)c(Cl)c1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone?
The InChIKey is VIICRNXEDOOOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-8-2-3-9(10(13)6-8)11(15)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone?
[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone has a molecular weight of 239.70 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 116921260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).