(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine

C13H13BrFNO — CID 62344613

IUPAC(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C13H13BrFNO/c1-2-9-4-6-12(17-9)13(16)8-3-5-10(14)11(15)7-8/h3-7,13H,2,16H2,1H3
InChIKeyAXSYAYQYHAMZIU-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.79
Rot. Bonds3

About (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine

(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 62344613) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
PubChem CID62344613
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C13H13BrFNO/c1-2-9-4-6-12(17-9)13(16)8-3-5-10(14)11(15)7-8/h3-7,13H,2,16H2,1H3
InChIKeyAXSYAYQYHAMZIU-UHFFFAOYSA-N
XLogP3.79
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine 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

(4-bromo-3-chlorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 81290852
(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 81472297
(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 107979824
(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(5-ethylfuran-2-yl)-(5-methylfuran-3-yl)methanamine
CID 114820210
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
(5-ethylfuran-2-yl)-(3-methoxyphenyl)methanamine
CID 55061699
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 82783479
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790
(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 102827978

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine (CID 62344613) is (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine is CCc1ccc(C(N)c2ccc(Br)c(F)c2)o1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is AXSYAYQYHAMZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-2-9-4-6-12(17-9)13(16)8-3-5-10(14)11(15)7-8/h3-7,13H,2,16H2,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine?
(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 298.16 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 62344613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).