2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine

C14H19BrFN — CID 55095635

IUPAC2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
SMILESNC(Cc1cc(Br)ccc1F)C1CCCCC1
InChIInChI=1S/C14H19BrFN/c15-12-6-7-13(16)11(8-12)9-14(17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2
InChIKeyUPOJGHOREQGBGM-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.04
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine

2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine (PubChem CID 55095635) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
PubChem CID55095635
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
SMILESNC(Cc1cc(Br)ccc1F)C1CCCCC1
InChIInChI=1S/C14H19BrFN/c15-12-6-7-13(16)11(8-12)9-14(17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2
InChIKeyUPOJGHOREQGBGM-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-cycloheptylethanamine
CID 65399396
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115839233
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
2-(5-bromo-2-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105131837
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115839556
[2-(5-bromo-2-fluorophenyl)-1-(oxan-3-yl)ethyl]hydrazine
CID 105229943
1-cycloheptyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373996
1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063733
3-(5-bromo-2-fluorophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 115926904

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine (CID 55095635) is 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine is NC(Cc1cc(Br)ccc1F)C1CCCCC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine?
The InChIKey is UPOJGHOREQGBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c15-12-6-7-13(16)11(8-12)9-14(17)10-4-2-1-3-5-10/h6-8,10,14H,1-5,9,17H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine?
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine has a molecular weight of 300.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine is sourced from PubChem (CID 55095635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).