1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone

C12H14BrNO — CID 43795016

IUPAC1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C12H14BrNO/c1-14(11-6-7-11)8-12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyDFWSXJGUHAWQKL-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone

1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone (PubChem CID 43795016) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
PubChem CID43795016
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
SMILESCN(CC(=O)c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C12H14BrNO/c1-14(11-6-7-11)8-12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3
InChIKeyDFWSXJGUHAWQKL-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63567709
2-[cyclopropyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795012
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
1-(4-bromophenyl)-2-[1-cyclopropylethyl(methyl)amino]ethanone
CID 43796654
1-(4-bromophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]butan-1-one
CID 43229281
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-one
CID 63483558
1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 63865706
1-(4-bromophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]ethanone
CID 102864528
1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681492
1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227315

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone (CID 43795016) is 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone is CN(CC(=O)c1ccc(Br)cc1)C1CC1.
What is the InChIKey of 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone?
The InChIKey is DFWSXJGUHAWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-14(11-6-7-11)8-12(15)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone?
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone has a molecular weight of 268.15 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone is sourced from PubChem (CID 43795016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).