(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone

C11H12BrNO2 — CID 116924286

IUPAC(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)C1(N)CC1
InChIInChI=1S/C11H12BrNO2/c1-15-9-3-2-7(12)6-8(9)10(14)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3
InChIKeyCPVPRWSSTZNCMG-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.13
Rot. Bonds3

About (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone

(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone (PubChem CID 116924286) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
PubChem CID116924286
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)C1(N)CC1
InChIInChI=1S/C11H12BrNO2/c1-15-9-3-2-7(12)6-8(9)10(14)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3
InChIKeyCPVPRWSSTZNCMG-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclopropyl)-(5-bromo-2-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)-(5-tert-butyl-2-methoxyphenyl)methanone
CID 116924278
(1-aminocyclohexyl)-(5-chloro-2-methoxyphenyl)methanone
CID 116550581
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
(1-aminocyclopropyl)-(2,3-dichloro-4-methoxyphenyl)methanone
CID 116924357
(1-aminocyclopropyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 116924321
1-(5-bromo-2-methoxyphenyl)propane-1,2-dione
CID 82132285
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
5-bromo-2-methoxy-N'-methylbenzohydrazide
CID 116846857
(1-aminocyclopropyl)-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 116924282
1-(5-bromo-2-methoxyphenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 50850566
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone (CID 116924286) is (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone is COc1ccc(Br)cc1C(=O)C1(N)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone?
The InChIKey is CPVPRWSSTZNCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-9-3-2-7(12)6-8(9)10(14)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3.
What are the key properties of (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone?
(1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone has a molecular weight of 270.13 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(5-bromo-2-methoxyphenyl)methanone is sourced from PubChem (CID 116924286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).