1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine

C13H17BrFN — CID 79701490

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CCCCC1
InChIInChI=1S/C13H17BrFN/c14-11-6-10(7-12(15)8-11)9-13(16)4-2-1-3-5-13/h6-8H,1-5,9,16H2
InChIKeyFEZYEOHBCLBSRR-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.79
Rot. Bonds2

About 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine

1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 79701490) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
PubChem CID79701490
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CCCCC1
InChIInChI=1S/C13H17BrFN/c14-11-6-10(7-12(15)8-11)9-13(16)4-2-1-3-5-13/h6-8H,1-5,9,16H2
InChIKeyFEZYEOHBCLBSRR-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 79702457
2-[(3-bromo-5-fluorophenyl)methyl]-2-methylazepane
CID 79708666
2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79708908
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
CID 79710408
N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 79697362
3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 113420895
1-[(5-fluoro-3-pyridinyl)methyl]cyclopentan-1-amine
CID 130515276
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 105403031

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine (CID 79701490) is 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine is NC1(Cc2cc(F)cc(Br)c2)CCCCC1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is FEZYEOHBCLBSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-11-6-10(7-12(15)8-11)9-13(16)4-2-1-3-5-13/h6-8H,1-5,9,16H2.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine?
1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79701490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).