1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone

C16H22BrNO — CID 82967364

IUPAC1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1N(C)CC1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-12(19)15-10-14(17)8-9-16(15)18(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3
InChIKeyHFUNYAFJQXSKIA-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.67
Rot. Bonds4

About 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone

1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone (PubChem CID 82967364) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
PubChem CID82967364
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1N(C)CC1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-12(19)15-10-14(17)8-9-16(15)18(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3
InChIKeyHFUNYAFJQXSKIA-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
1-[5-bromo-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanone
CID 82966904
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63537836
1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
CID 82967352
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
4-bromo-N-(cyclopentylmethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82968938

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone (CID 82967364) is 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone is CC(=O)c1cc(Br)ccc1N(C)CC1CCCCC1.
What is the InChIKey of 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone?
The InChIKey is HFUNYAFJQXSKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-12(19)15-10-14(17)8-9-16(15)18(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone?
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone has a molecular weight of 324.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 82967364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).