[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine

C15H21BrFN — CID 117499969

IUPAC[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine
SMILESCc1cc(F)c(Br)c(C2(CN)CCCCC2)c1C
InChIInChI=1S/C15H21BrFN/c1-10-8-12(17)14(16)13(11(10)2)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3
InChIKeyMMJRISDPYUHVOU-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.37
Rot. Bonds2

About [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine

[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine (PubChem CID 117499969) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine
PubChem CID117499969
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine
SMILESCc1cc(F)c(Br)c(C2(CN)CCCCC2)c1C
InChIInChI=1S/C15H21BrFN/c1-10-8-12(17)14(16)13(11(10)2)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3
InChIKeyMMJRISDPYUHVOU-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
CID 117492969
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol
CID 117497403
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine (CID 117499969) is [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine is Cc1cc(F)c(Br)c(C2(CN)CCCCC2)c1C.
What is the InChIKey of [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine?
The InChIKey is MMJRISDPYUHVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-10-8-12(17)14(16)13(11(10)2)15(9-18)6-4-3-5-7-15/h8H,3-7,9,18H2,1-2H3.
What are the key properties of [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine?
[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117499969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).