1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone

C13H16BrNO — CID 60984093

IUPAC1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1Br)CC1CC1
InChIInChI=1S/C13H16BrNO/c1-15(8-10-6-7-10)9-13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9H2,1H3
InChIKeyKGOIYRUAJRMNLC-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.97
Rot. Bonds5

About 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone

1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone (PubChem CID 60984093) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
PubChem CID60984093
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccccc1Br)CC1CC1
InChIInChI=1S/C13H16BrNO/c1-15(8-10-6-7-10)9-13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9H2,1H3
InChIKeyKGOIYRUAJRMNLC-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone 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-(2-bromophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanone
CID 63713643
1-(2-bromophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 63954800
1-(2-bromophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319708
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
2-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 60637824
1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
CID 60650724
1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820
1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170858
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 87011264
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone (CID 60984093) is 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone is CN(CC(=O)c1ccccc1Br)CC1CC1.
What is the InChIKey of 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
The InChIKey is KGOIYRUAJRMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-15(8-10-6-7-10)9-13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone?
1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone has a molecular weight of 282.18 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone is sourced from PubChem (CID 60984093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).