1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine

C12H15BrFN — CID 117432906

IUPAC1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine
SMILESNC1(c2cc(F)ccc2Br)CCCCC1
InChIInChI=1S/C12H15BrFN/c13-11-5-4-9(14)8-10(11)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
InChIKeyMZJLNQIIZSTFIN-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.71
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine

1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine (PubChem CID 117432906) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine
PubChem CID117432906
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine
SMILESNC1(c2cc(F)ccc2Br)CCCCC1
InChIInChI=1S/C12H15BrFN/c13-11-5-4-9(14)8-10(11)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
InChIKeyMZJLNQIIZSTFIN-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
2-(1-aminocyclohexyl)-4-fluorobenzaldehyde
CID 117315954
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopentan-1-amine
CID 117374393
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
CID 130160401
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine (CID 117432906) is 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine is NC1(c2cc(F)ccc2Br)CCCCC1.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine?
The InChIKey is MZJLNQIIZSTFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-11-5-4-9(14)8-10(11)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine?
1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine is sourced from PubChem (CID 117432906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).