1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone

C12H14ClNO2 — CID 116576466

IUPAC1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)C1(N)CC1
InChIInChI=1S/C12H14ClNO2/c1-16-10-3-2-9(13)6-8(10)7-11(15)12(14)4-5-12/h2-3,6H,4-5,7,14H2,1H3
InChIKeyWRCFUISJNPKBFO-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.95
Rot. Bonds4

About 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone

1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone (PubChem CID 116576466) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
PubChem CID116576466
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)C1(N)CC1
InChIInChI=1S/C12H14ClNO2/c1-16-10-3-2-9(13)6-8(10)7-11(15)12(14)4-5-12/h2-3,6H,4-5,7,14H2,1H3
InChIKeyWRCFUISJNPKBFO-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116603995
1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116550553
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 120804952
1-(3-aminooxolan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116579688
N-(2-amino-2-ethylbutyl)-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119639672
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83912543
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587
2-(5-chloro-2-methoxyphenyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406639

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone (CID 116576466) is 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone is COc1ccc(Cl)cc1CC(=O)C1(N)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
The InChIKey is WRCFUISJNPKBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-16-10-3-2-9(13)6-8(10)7-11(15)12(14)4-5-12/h2-3,6H,4-5,7,14H2,1H3.
What are the key properties of 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone?
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone has a molecular weight of 239.70 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 116576466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).