1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine

C15H10BrClFNO — CID 106762492

IUPAC1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc2ccccc2o1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H10BrClFNO/c16-10-6-5-9(14(18)13(10)17)15(19)12-7-8-3-1-2-4-11(8)20-12/h1-7,15H,19H2
InChIKeyGNRGHNWRAIGDNB-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.04
Rot. Bonds2

About 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine

1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine (PubChem CID 106762492) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
PubChem CID106762492
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc2ccccc2o1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H10BrClFNO/c16-10-6-5-9(14(18)13(10)17)15(19)12-7-8-3-1-2-4-11(8)20-12/h1-7,15H,19H2
InChIKeyGNRGHNWRAIGDNB-UHFFFAOYSA-N
XLogP5.04
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
CID 63944229
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
CID 106762682

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine (CID 106762492) is 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine is NC(c1cc2ccccc2o1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine?
The InChIKey is GNRGHNWRAIGDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-10-6-5-9(14(18)13(10)17)15(19)12-7-8-3-1-2-4-11(8)20-12/h1-7,15H,19H2.
What are the key properties of 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine?
1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine has a molecular weight of 354.61 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-bromo-3-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 106762492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).