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

C14H18BrNO — CID 116917636

IUPAC(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H18BrNO/c1-16-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3
InChIKeyFRIKMZTVTFHDDA-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.41
Rot. Bonds3

About (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone

(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone (PubChem CID 116917636) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
PubChem CID116917636
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C14H18BrNO/c1-16-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3
InChIKeyFRIKMZTVTFHDDA-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

2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
(2-bromophenyl)-(oxan-4-yl)methanone
CID 63936269
(4-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917587
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
(5-chloro-2-fluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917613
ethyl 4-[(2-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 60932818
N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
(3-bromo-2-methylphenyl)-cyclohexylmethanone
CID 114962200
2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
CID 154739991
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975482
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone (CID 116917636) is (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone is CNC1CCC(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone?
The InChIKey is FRIKMZTVTFHDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-16-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone?
(2-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 (2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone is sourced from PubChem (CID 116917636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).