1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine

C13H17BrFN — CID 117461277

IUPAC1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(C2(N)CCCCC2)cc(Br)c1F
InChIInChI=1S/C13H17BrFN/c1-9-7-10(8-11(14)12(9)15)13(16)5-3-2-4-6-13/h7-8H,2-6,16H2,1H3
InChIKeyRVUBQOGOIAONQK-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.01
Rot. Bonds1

About 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine

1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine (PubChem CID 117461277) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
PubChem CID117461277
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(C2(N)CCCCC2)cc(Br)c1F
InChIInChI=1S/C13H17BrFN/c1-9-7-10(8-11(14)12(9)15)13(16)5-3-2-4-6-13/h7-8H,2-6,16H2,1H3
InChIKeyRVUBQOGOIAONQK-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol
CID 84803020
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine (CID 117461277) is 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine is Cc1cc(C2(N)CCCCC2)cc(Br)c1F.
What is the InChIKey of 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine?
The InChIKey is RVUBQOGOIAONQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9-7-10(8-11(14)12(9)15)13(16)5-3-2-4-6-13/h7-8H,2-6,16H2,1H3.
What are the key properties of 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine?
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117461277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).