2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine

C12H16BrFN2O — CID 114077681

IUPAC2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine
SMILESNCC(c1cc(F)ccc1Br)N1CCOCC1
InChIInChI=1S/C12H16BrFN2O/c13-11-2-1-9(14)7-10(11)12(8-15)16-3-5-17-6-4-16/h1-2,7,12H,3-6,8,15H2
InChIKeyYRAJULMQBDHRCC-UHFFFAOYSA-N
MW303.17 g/mol
LogP1.92
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine

2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine (PubChem CID 114077681) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine
PubChem CID114077681
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine
SMILESNCC(c1cc(F)ccc1Br)N1CCOCC1
InChIInChI=1S/C12H16BrFN2O/c13-11-2-1-9(14)7-10(11)12(8-15)16-3-5-17-6-4-16/h1-2,7,12H,3-6,8,15H2
InChIKeyYRAJULMQBDHRCC-UHFFFAOYSA-N
XLogP1.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine 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

2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
CID 46736564
3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine
CID 69312368
1-[(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171275863
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
(2R)-2-(2,6-difluorophenyl)-2-morpholin-4-ylethanamine
CID 30115194
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
3-(2-bromo-5-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 114078048
2-(3-bromothiophen-2-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 115380425
2-(2,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16642914
2-(2,3-difluorophenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55234530
1-[(1S)-1-(2-bromo-5-fluorophenyl)-3,3,3-trifluoropropyl]piperazine
CID 171163773
1-[(1R)-1-(2-bromo-5-fluorophenyl)butyl]piperazine
CID 171169151

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine (CID 114077681) is 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine is NCC(c1cc(F)ccc1Br)N1CCOCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine?
The InChIKey is YRAJULMQBDHRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c13-11-2-1-9(14)7-10(11)12(8-15)16-3-5-17-6-4-16/h1-2,7,12H,3-6,8,15H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine?
2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine has a molecular weight of 303.17 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 114077681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).