(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine

C15H13BrFNO — CID 107953818

IUPAC(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
SMILESNC(c1cccc(Br)c1F)c1cccc2c1OCC2
InChIInChI=1S/C15H13BrFNO/c16-12-6-2-4-10(13(12)17)14(18)11-5-1-3-9-7-8-19-15(9)11/h1-6,14H,7-8,18H2
InChIKeyVESFOVWUFQCNDQ-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.57
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine

(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine (PubChem CID 107953818) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
PubChem CID107953818
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine
SMILESNC(c1cccc(Br)c1F)c1cccc2c1OCC2
InChIInChI=1S/C15H13BrFNO/c16-12-6-2-4-10(13(12)17)14(18)11-5-1-3-9-7-8-19-15(9)11/h1-6,14H,7-8,18H2
InChIKeyVESFOVWUFQCNDQ-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-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

2,3-dihydro-1-benzofuran-7-yl-(3,4,5-trifluorophenyl)methanamine
CID 114745149
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341826
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 114745887
(3-bromo-2-fluorophenyl)-(5-bromofuran-2-yl)methanamine
CID 106648228
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanamine
CID 114744888
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 107538425

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine (CID 107953818) is (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine is NC(c1cccc(Br)c1F)c1cccc2c1OCC2.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine?
The InChIKey is VESFOVWUFQCNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-12-6-2-4-10(13(12)17)14(18)11-5-1-3-9-7-8-19-15(9)11/h1-6,14H,7-8,18H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine?
(3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine has a molecular weight of 322.18 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanamine is sourced from PubChem (CID 107953818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).