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

C12H14BrNO — CID 82966870

IUPAC1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1N(C)C1CC1
InChIInChI=1S/C12H14BrNO/c1-8(15)11-6-3-9(13)7-12(11)14(2)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3
InChIKeyVBNBYIWFUYVJPT-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.25
Rot. Bonds3

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

1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone (PubChem CID 82966870) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone
PubChem CID82966870
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1N(C)C1CC1
InChIInChI=1S/C12H14BrNO/c1-8(15)11-6-3-9(13)7-12(11)14(2)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3
InChIKeyVBNBYIWFUYVJPT-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-[methyl(oxan-4-yl)amino]phenyl]ethanone
CID 82967435
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
1-[5-bromo-2-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]ethanone
CID 82966875
1-[4-bromo-2-[cyclopropyl(thiophen-2-ylmethyl)amino]phenyl]ethanone
CID 82966803
2-[cyclopropyl(methyl)amino]-4-methylbenzoic acid
CID 62702673
4-bromo-2-[cyclopropyl(methyl)amino]benzonitrile
CID 114901416
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
1-[4-bromo-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone
CID 112660451
3-[4-bromo-2-[methyl-(4-methylcyclohexyl)amino]phenyl]prop-2-enoic acid
CID 76997910
3-(2-acetyl-5-bromo-N-methylanilino)-2-methylpropanenitrile
CID 82966966
4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
CID 63081321
5-bromo-2-[cyclopropyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114892387

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone (CID 82966870) is 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone is CC(=O)c1ccc(Br)cc1N(C)C1CC1.
What is the InChIKey of 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone?
The InChIKey is VBNBYIWFUYVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-8(15)11-6-3-9(13)7-12(11)14(2)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone?
1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone has a molecular weight of 268.15 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 82966870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).