2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one

C13H16BrNO — CID 62035173

IUPAC2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one
SMILESCN(Cc1cccc(Br)c1)C1CCCC1=O
InChIInChI=1S/C13H16BrNO/c1-15(12-6-3-7-13(12)16)9-10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeyWHGKCRJMMWGMMV-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.00
Rot. Bonds3

About 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one

2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one (PubChem CID 62035173) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one
PubChem CID62035173
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one
SMILESCN(Cc1cccc(Br)c1)C1CCCC1=O
InChIInChI=1S/C13H16BrNO/c1-15(12-6-3-7-13(12)16)9-10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3
InChIKeyWHGKCRJMMWGMMV-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
3-[[methyl-(2-oxocycloheptyl)amino]methyl]benzonitrile
CID 55148231
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-[(3-bromophenyl)methyl-methylamino]cyclopentane-1-carboxylic acid
CID 63072969
2-[methyl(pyridin-4-ylmethyl)amino]cycloheptan-1-one
CID 60863279
3-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-one
CID 103057852
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
2-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79543724
3-[(3-bromophenyl)methyl]-2-methylcyclopentan-1-one
CID 64910250
4-[(3-bromophenyl)methyl-methylamino]pyrrolidin-3-ol
CID 63702636
N-[(3-bromophenyl)methyl]-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999899
4-[(3-bromophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784849

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one (CID 62035173) is 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one is CN(Cc1cccc(Br)c1)C1CCCC1=O.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one?
The InChIKey is WHGKCRJMMWGMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-15(12-6-3-7-13(12)16)9-10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one?
2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one has a molecular weight of 282.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]cyclopentan-1-one is sourced from PubChem (CID 62035173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).