(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone

C14H18BrNO — CID 116917587

IUPAC(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrNO/c1-16-13-8-4-11(5-9-13)14(17)10-2-6-12(15)7-3-10/h2-3,6-7,11,13,16H,4-5,8-9H2,1H3
InChIKeyZAJUSWYUUJIMML-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.41
Rot. Bonds3

About (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone

(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone (PubChem CID 116917587) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
PubChem CID116917587
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H18BrNO/c1-16-13-8-4-11(5-9-13)14(17)10-2-6-12(15)7-3-10/h2-3,6-7,11,13,16H,4-5,8-9H2,1H3
InChIKeyZAJUSWYUUJIMML-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromocyclohexyl)-(4-bromophenyl)methanone
CID 58764697
[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
CID 116917614
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917636
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
methyl 4-[(4-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617198
(4-bromophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 68951075
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
[4-(4-bromophenyl)phenyl]-[(1S,3S)-3-pentylcyclopentyl]methanone
CID 7232644
cyclopropyl-(3,5-dibromophenyl)methanone
CID 107976980
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone (CID 116917587) is (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone is CNC1CCC(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone?
The InChIKey is ZAJUSWYUUJIMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-16-13-8-4-11(5-9-13)14(17)10-2-6-12(15)7-3-10/h2-3,6-7,11,13,16H,4-5,8-9H2,1H3.
What are the key properties of (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone?
(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone has a molecular weight of 296.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone is sourced from PubChem (CID 116917587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).