(5-bromo-2-fluorophenyl)-cyclohexylmethanamine

C13H17BrFN — CID 79742739

IUPAC(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
SMILESNC(c1cc(Br)ccc1F)C1CCCCC1
InChIInChI=1S/C13H17BrFN/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2
InChIKeyFVJNHUGAKQLIBK-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.17
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-cyclohexylmethanamine

(5-bromo-2-fluorophenyl)-cyclohexylmethanamine (PubChem CID 79742739) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
PubChem CID79742739
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
SMILESNC(c1cc(Br)ccc1F)C1CCCCC1
InChIInChI=1S/C13H17BrFN/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2
InChIKeyFVJNHUGAKQLIBK-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5-bromo-2-fluorophenyl)-cyclohexylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 116941875
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105167450
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(R)-(5-bromo-2-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171203860
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
CID 131256962

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-cyclohexylmethanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-cyclohexylmethanamine (CID 79742739) is (5-bromo-2-fluorophenyl)-cyclohexylmethanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-cyclohexylmethanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-cyclohexylmethanamine is NC(c1cc(Br)ccc1F)C1CCCCC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-cyclohexylmethanamine?
The InChIKey is FVJNHUGAKQLIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h6-9,13H,1-5,16H2.
What are the key properties of (5-bromo-2-fluorophenyl)-cyclohexylmethanamine?
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine has a molecular weight of 286.19 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-cyclohexylmethanamine is sourced from PubChem (CID 79742739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).