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

C13H16ClNO2 — CID 116591329

IUPAC2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CC1(N)CCC1
InChIInChI=1S/C13H16ClNO2/c1-17-12-4-3-9(14)7-10(12)11(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyPSACIKVVEBCTJM-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.80
Rot. Bonds4

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

2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone (PubChem CID 116591329) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
PubChem CID116591329
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(Cl)cc1C(=O)CC1(N)CCC1
InChIInChI=1S/C13H16ClNO2/c1-17-12-4-3-9(14)7-10(12)11(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3
InChIKeyPSACIKVVEBCTJM-UHFFFAOYSA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
(5-chloro-2-methoxyphenyl)-[1-(hydroxymethyl)cyclobutyl]methanone
CID 116921922
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
2-(1-aminocyclopentyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 116578600
1-(5-chloro-2-methoxyphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94271591
1-(5-chloro-2-methoxyphenyl)pent-3-yn-1-one
CID 114964917
1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
3-amino-1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 116608850
5-chloro-2-methoxybenzoate
CID 6933314
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone (CID 116591329) is 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone is COc1ccc(Cl)cc1C(=O)CC1(N)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone?
The InChIKey is PSACIKVVEBCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-12-4-3-9(14)7-10(12)11(16)8-13(15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3.
What are the key properties of 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone?
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone has a molecular weight of 253.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 116591329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).