[7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H12Cl2FNO — CID 11151088

IUPAC[7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(F)cc(-c3cccc(Cl)c3Cl)c2O1
InChIInChI=1S/C15H12Cl2FNO/c16-13-3-1-2-11(14(13)17)12-6-9(18)4-8-5-10(7-19)20-15(8)12/h1-4,6,10H,5,7,19H2
InChIKeyPGOCSBBZCMHNCW-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.06
Rot. Bonds2

About [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11151088) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11151088
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name[7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(F)cc(-c3cccc(Cl)c3Cl)c2O1
InChIInChI=1S/C15H12Cl2FNO/c16-13-3-1-2-11(14(13)17)12-6-9(18)4-8-5-10(7-19)20-15(8)12/h1-4,6,10H,5,7,19H2
InChIKeyPGOCSBBZCMHNCW-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-(2,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 16226461
[7-(2,4-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
(+/-)-{[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}methylamine
CID 15941779
2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
[(2R)-7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69581205
[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine
CID 164664481
[5-Fluoro-7-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11149651
[7-(2,6-Difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11173513
[5-Fluoro-7-(3-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11184552
[5-Chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11220163
(+/-)-N-{[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}propan-2-amine
CID 11221952
[5-Chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11243396

Frequently Asked Questions

What is the IUPAC name of [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11151088) is [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cc(F)cc(-c3cccc(Cl)c3Cl)c2O1.
What is the InChIKey of [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is PGOCSBBZCMHNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c16-13-3-1-2-11(14(13)17)12-6-9(18)4-8-5-10(7-19)20-15(8)12/h1-4,6,10H,5,7,19H2.
What are the key properties of [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 312.17 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,3-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11151088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).