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

C15H10BrClFNO — CID 105173757

IUPAC(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc2cccc(Br)c2o1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H10BrClFNO/c16-11-3-1-2-8-6-13(20-15(8)11)14(19)10-5-4-9(17)7-12(10)18/h1-7,14H,19H2
InChIKeyFJCXJZNWPSSIQU-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.04
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine

(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine (PubChem CID 105173757) has the molecular formula C15H10BrClFNO and a molecular weight of 354.61 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
PubChem CID105173757
Molecular FormulaC15H10BrClFNO
Molecular Weight354.61 g/mol
Exact Mass352.96
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
SMILESNC(c1cc2cccc(Br)c2o1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H10BrClFNO/c16-11-3-1-2-8-6-13(20-15(8)11)14(19)10-5-4-9(17)7-12(10)18/h1-7,14H,19H2
InChIKeyFJCXJZNWPSSIQU-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

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(3-bromo-2-chlorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 105022461
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
[(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 105301983
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine (CID 105173757) is (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine is NC(c1cc2cccc(Br)c2o1)c1ccc(Cl)cc1F.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The InChIKey is FJCXJZNWPSSIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO/c16-11-3-1-2-8-6-13(20-15(8)11)14(19)10-5-4-9(17)7-12(10)18/h1-7,14H,19H2.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
(7-bromo-1-benzofuran-2-yl)-(4-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 (7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 105173757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).