2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine

C11H10BrF2NO — CID 107102981

IUPAC2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine
SMILESCNCCc1coc2c(F)c(F)cc(Br)c12
InChIInChI=1S/C11H10BrF2NO/c1-15-3-2-6-5-16-11-9(6)7(12)4-8(13)10(11)14/h4-5,15H,2-3H2,1H3
InChIKeyZSRLFRDFMHLTNS-UHFFFAOYSA-N
MW290.11 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine

2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine (PubChem CID 107102981) has the molecular formula C11H10BrF2NO and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine
PubChem CID107102981
Molecular FormulaC11H10BrF2NO
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine
SMILESCNCCc1coc2c(F)c(F)cc(Br)c12
InChIInChI=1S/C11H10BrF2NO/c1-15-3-2-6-5-16-11-9(6)7(12)4-8(13)10(11)14/h4-5,15H,2-3H2,1H3
InChIKeyZSRLFRDFMHLTNS-UHFFFAOYSA-N
XLogP3.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid
CID 107100695
(7-bromo-4,5-difluoro-1-benzofuran-3-yl)methanol
CID 90384337
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
4-bromo-6,7-difluoro-1-benzofuran-3-carboxylic acid
CID 107102379
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
N-methyl-2-(7-methyl-4-propan-2-yl-1-benzofuran-3-yl)ethanamine
CID 81050132
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046
2-(4-bromo-7-chloro-1-benzofuran-3-yl)-N-ethylethanamine
CID 81049786
2-bromo-4-fluoro-6-[2-(methylamino)ethyl]phenol
CID 83900216
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
N-ethyl-2-(4-fluoro-7-methyl-1-benzofuran-3-yl)ethanamine
CID 102990765
2-(7-chloro-5-methyl-1-benzofuran-3-yl)-N-methylethanamine
CID 81049955

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine (CID 107102981) is 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine is CNCCc1coc2c(F)c(F)cc(Br)c12.
What is the InChIKey of 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine?
The InChIKey is ZSRLFRDFMHLTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO/c1-15-3-2-6-5-16-11-9(6)7(12)4-8(13)10(11)14/h4-5,15H,2-3H2,1H3.
What are the key properties of 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine?
2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine has a molecular weight of 290.11 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)-N-methylethanamine is sourced from PubChem (CID 107102981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).