[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine

C13H17BrFN — CID 117461246

IUPAC[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2cccc(Br)c2F)CCCCC1
InChIInChI=1S/C13H17BrFN/c14-11-6-4-5-10(12(11)15)13(9-16)7-2-1-3-8-13/h4-6H,1-3,7-9,16H2
InChIKeyVBVNKJLHQGOCOF-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.75
Rot. Bonds2

About [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine

[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine (PubChem CID 117461246) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
PubChem CID117461246
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2cccc(Br)c2F)CCCCC1
InChIInChI=1S/C13H17BrFN/c14-11-6-4-5-10(12(11)15)13(9-16)7-2-1-3-8-13/h4-6H,1-3,7-9,16H2
InChIKeyVBVNKJLHQGOCOF-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259
[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine
CID 117474516
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
[1-(2-bromo-4,5-difluorophenyl)cyclobutyl]methanamine
CID 117441687
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine (CID 117461246) is [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine is NCC1(c2cccc(Br)c2F)CCCCC1.
What is the InChIKey of [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine?
The InChIKey is VBVNKJLHQGOCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-11-6-4-5-10(12(11)15)13(9-16)7-2-1-3-8-13/h4-6H,1-3,7-9,16H2.
What are the key properties of [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine?
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine has a molecular weight of 286.19 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117461246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).