2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one

C13H16BrNO — CID 71588007

IUPAC2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one
SMILESCNC1(c2ccccc2Br)CCCCC1=O
InChIInChI=1S/C13H16BrNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyXPMMBFIMXKSQIQ-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.01
Rot. Bonds2

About 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one

2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one (PubChem CID 71588007) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one
PubChem CID71588007
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one
SMILESCNC1(c2ccccc2Br)CCCCC1=O
InChIInChI=1S/C13H16BrNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyXPMMBFIMXKSQIQ-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one?
The IUPAC name of 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one (CID 71588007) is 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one?
The canonical SMILES for 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one is CNC1(c2ccccc2Br)CCCCC1=O.
What is the InChIKey of 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one?
The InChIKey is XPMMBFIMXKSQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3.
What are the key properties of 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one?
2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one has a molecular weight of 282.18 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(methylamino)cyclohexan-1-one is sourced from PubChem (CID 71588007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).