1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone

C15H20BrNO — CID 116600671

IUPAC1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone
SMILESNCC1(C(=O)Cc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C15H20BrNO/c16-13-6-4-12(5-7-13)10-14(18)15(11-17)8-2-1-3-9-15/h4-7H,1-3,8-11,17H2
InChIKeyOLSWGSVSOMPVAE-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.47
Rot. Bonds4

About 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone

1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone (PubChem CID 116600671) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone
PubChem CID116600671
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone
SMILESNCC1(C(=O)Cc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C15H20BrNO/c16-13-6-4-12(5-7-13)10-14(18)15(11-17)8-2-1-3-9-15/h4-7H,1-3,8-11,17H2
InChIKeyOLSWGSVSOMPVAE-UHFFFAOYSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-2-(4-bromo-2-fluorophenyl)ethanone
CID 116601033
1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 116601171
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-[1-(aminomethyl)cycloheptyl]-2-(2,6-difluorophenyl)ethanone
CID 114935488
2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058174
1-[1-(aminomethyl)cyclobutyl]-2-(3,5-difluorophenyl)ethanone
CID 105412047
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
1-[1-(aminomethyl)cycloheptyl]-2-(2,5-dichlorophenyl)ethanone
CID 116602163
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116600888
1-[1-(aminomethyl)cyclobutyl]-2-(2-bromo-3-fluorophenyl)ethanone
CID 116600438
2-(4-bromophenyl)-N-(1-carbamothioylcycloheptyl)acetamide
CID 61119765
1-[1-(aminomethyl)cyclopentyl]-2-(4-fluoro-2-methylphenyl)ethanone
CID 114350494

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone (CID 116600671) is 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone is NCC1(C(=O)Cc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone?
The InChIKey is OLSWGSVSOMPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-6-4-12(5-7-13)10-14(18)15(11-17)8-2-1-3-9-15/h4-7H,1-3,8-11,17H2.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone?
1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone has a molecular weight of 310.23 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-2-(4-bromophenyl)ethanone is sourced from PubChem (CID 116600671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).