2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine

C12H11BrFNO — CID 62716295

IUPAC2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1ccco1
InChIInChI=1S/C12H11BrFNO/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h1-5,7,11H,6,15H2
InChIKeyJTVFUVZGLLPBAP-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.42
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine

2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine (PubChem CID 62716295) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine
PubChem CID62716295
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine
SMILESNC(Cc1ccc(F)cc1Br)c1ccco1
InChIInChI=1S/C12H11BrFNO/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h1-5,7,11H,6,15H2
InChIKeyJTVFUVZGLLPBAP-UHFFFAOYSA-N
XLogP3.42
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine 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

1,2-bis(2-bromo-4-fluorophenyl)ethanamine
CID 115843294
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanamine
CID 55095103
2-(2-bromo-4-fluorophenyl)-1-thiophen-2-ylethanamine
CID 62608112
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethanamine
CID 66425067
2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
CID 105136391
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115843175
[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269345
1-(2-bromo-4-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 63420117
2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 113455206

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine (CID 62716295) is 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine is NC(Cc1ccc(F)cc1Br)c1ccco1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine?
The InChIKey is JTVFUVZGLLPBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c13-10-7-9(14)4-3-8(10)6-11(15)12-2-1-5-16-12/h1-5,7,11H,6,15H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine?
2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine has a molecular weight of 284.13 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 62716295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).