1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine

C14H19BrFN — CID 117483815

IUPAC1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(Br)c(C)c(C2(N)CCCCC2)c1F
InChIInChI=1S/C14H19BrFN/c1-9-8-11(15)10(2)12(13(9)16)14(17)6-4-3-5-7-14/h8H,3-7,17H2,1-2H3
InChIKeyWSJWWWLKXFPFSQ-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.32
Rot. Bonds1

About 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine

1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine (PubChem CID 117483815) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
PubChem CID117483815
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
SMILESCc1cc(Br)c(C)c(C2(N)CCCCC2)c1F
InChIInChI=1S/C14H19BrFN/c1-9-8-11(15)10(2)12(13(9)16)14(17)6-4-3-5-7-14/h8H,3-7,17H2,1-2H3
InChIKeyWSJWWWLKXFPFSQ-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84783125
2-(1-aminocyclopentyl)-4-bromo-3-methyl-6-propan-2-ylphenol
CID 117497312
1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117356604
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine
CID 84772869
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine (CID 117483815) is 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine is Cc1cc(Br)c(C)c(C2(N)CCCCC2)c1F.
What is the InChIKey of 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine?
The InChIKey is WSJWWWLKXFPFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-9-8-11(15)10(2)12(13(9)16)14(17)6-4-3-5-7-14/h8H,3-7,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine?
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117483815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).