[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone

C12H14ClNO2 — CID 116601328

IUPAC[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(CN)CC1
InChIInChI=1S/C12H14ClNO2/c1-16-10-3-2-8(13)6-9(10)11(15)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3
InChIKeyHIFJIXYAHRNHOD-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.27
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone

[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 116601328) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
PubChem CID116601328
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)C1(CN)CC1
InChIInChI=1S/C12H14ClNO2/c1-16-10-3-2-8(13)6-9(10)11(15)12(7-14)4-5-12/h2-3,6H,4-5,7,14H2,1H3
InChIKeyHIFJIXYAHRNHOD-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

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Related Compounds

(5-chloro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921342
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxy-3-methylphenyl)methanone
CID 116921253
[1-(aminomethyl)cyclopropyl]-(2-chloro-4-methoxyphenyl)methanone
CID 116921260
[1-(4-aminophenyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116611778
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066338
(2,5-dimethoxyphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921076
5-chloro-2-methoxybenzoate
CID 6933314
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116603995
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone (CID 116601328) is [1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)C1(CN)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is HIFJIXYAHRNHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-10-3-2-8(13)6-9(10)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]-(5-chloro-2-methoxyphenyl)methanone?
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-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]-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 116601328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).