1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine

C16H12BrClFNO — CID 103043411

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrClFNO/c17-11-3-1-2-10-8-15(21-16(10)11)14(20)7-9-4-5-13(19)12(18)6-9/h1-6,8,14H,7,20H2
InChIKeyFVXJSXMJBIUPMK-UHFFFAOYSA-N
MW368.63 g/mol
LogP5.23
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine

1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine (PubChem CID 103043411) has the molecular formula C16H12BrClFNO and a molecular weight of 368.63 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
PubChem CID103043411
Molecular FormulaC16H12BrClFNO
Molecular Weight368.63 g/mol
Exact Mass366.98
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C16H12BrClFNO/c17-11-3-1-2-10-8-15(21-16(10)11)14(20)7-9-4-5-13(19)12(18)6-9/h1-6,8,14H,7,20H2
InChIKeyFVXJSXMJBIUPMK-UHFFFAOYSA-N
XLogP5.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894433
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
1-(2-bromo-4-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 107995838
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
1-(4-bromo-2-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043078
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
1-(7-bromo-1-benzofuran-2-yl)-2-(2,5-dichlorophenyl)ethanol
CID 105100365
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine (CID 103043411) is 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine is NC(Cc1ccc(F)c(Cl)c1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The InChIKey is FVXJSXMJBIUPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClFNO/c17-11-3-1-2-10-8-15(21-16(10)11)14(20)7-9-4-5-13(19)12(18)6-9/h1-6,8,14H,7,20H2.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine?
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine has a molecular weight of 368.63 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine is sourced from PubChem (CID 103043411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).