2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine

C13H17BrFN — CID 61382402

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFN/c14-12-8-11(15)6-5-9(12)7-10-3-1-2-4-13(10)16/h5-6,8,10,13H,1-4,7,16H2
InChIKeySDYAZEHTVDJVJP-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.65
Rot. Bonds2

About 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine

2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 61382402) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
PubChem CID61382402
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccc(F)cc1Br
InChIInChI=1S/C13H17BrFN/c14-12-8-11(15)6-5-9(12)7-10-3-1-2-4-13(10)16/h5-6,8,10,13H,1-4,7,16H2
InChIKeySDYAZEHTVDJVJP-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027861
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028471
2-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 107282899
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 92754817
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-chlorocyclohexyl)methanamine
CID 65024730
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
2-bromo-1-[(2-bromo-5-propylcyclohexyl)methyl]-4-fluorobenzene
CID 63470892
[2-[(4-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 114350126
2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014650

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine (CID 61382402) is 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine is NC1CCCCC1Cc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is SDYAZEHTVDJVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-12-8-11(15)6-5-9(12)7-10-3-1-2-4-13(10)16/h5-6,8,10,13H,1-4,7,16H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine?
2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61382402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).