1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone

C14H18BrNO — CID 116579842

IUPAC1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
SMILESNC1CCCCC1C(=O)Cc1ccccc1Br
InChIInChI=1S/C14H18BrNO/c15-12-7-3-1-5-10(12)9-14(17)11-6-2-4-8-13(11)16/h1,3,5,7,11,13H,2,4,6,8-9,16H2
InChIKeyLDOQBHFHVDAPNI-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone

1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone (PubChem CID 116579842) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
PubChem CID116579842
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
SMILESNC1CCCCC1C(=O)Cc1ccccc1Br
InChIInChI=1S/C14H18BrNO/c15-12-7-3-1-5-10(12)9-14(17)11-6-2-4-8-13(11)16/h1,3,5,7,11,13H,2,4,6,8-9,16H2
InChIKeyLDOQBHFHVDAPNI-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
CID 116579919
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 124510929
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
1-(2-aminocyclohexyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116580018
1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116579985
1-(2-aminocycloheptyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116595331
1-(2-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116579933
2-[(2-bromophenyl)methoxy]cycloheptan-1-amine
CID 82831822
1-(2-aminocycloheptyl)-2-(4-bromothiophen-2-yl)ethanone
CID 116595278
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone (CID 116579842) is 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone is NC1CCCCC1C(=O)Cc1ccccc1Br.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone?
The InChIKey is LDOQBHFHVDAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-12-7-3-1-5-10(12)9-14(17)11-6-2-4-8-13(11)16/h1,3,5,7,11,13H,2,4,6,8-9,16H2.
What are the key properties of 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone?
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone has a molecular weight of 296.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone is sourced from PubChem (CID 116579842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).