[5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C15H12ClF2NO — CID 11335421

IUPAC[5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(Cl)cc(-c3ccc(F)cc3F)c2O1
InChIInChI=1S/C15H12ClF2NO/c16-9-3-8-4-11(7-19)20-15(8)13(5-9)12-2-1-10(17)6-14(12)18/h1-3,5-6,11H,4,7,19H2
InChIKeyZOFKFXKRECQNGU-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.55
Rot. Bonds2

About [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11335421) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11335421
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name[5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cc(Cl)cc(-c3ccc(F)cc3F)c2O1
InChIInChI=1S/C15H12ClF2NO/c16-9-3-8-4-11(7-19)20-15(8)13(5-9)12-2-1-10(17)6-14(12)18/h1-3,5-6,11H,4,7,19H2
InChIKeyZOFKFXKRECQNGU-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.55
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
[(1R,2R)-2-[5-chloro-2-(2,2-difluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 118733807
[(1S,2S)-2-[5-chloro-2-(2,2-difluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 118733809
[2-(3-Chloro-2-fluoro-6-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 127027463
[2-(5-Chloro-4-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 127028094
[2-[3-Chloro-2-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 127028096
[2-[5-Chloro-4-fluoro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 127029581
2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
(S)-2-(4-chloro-2,6-dimethylphenoxy)-1-phenylethanamine
CID 11150055
[7-(3,5-Difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56702102

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11335421) is [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cc(Cl)cc(-c3ccc(F)cc3F)c2O1.
What is the InChIKey of [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is ZOFKFXKRECQNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c16-9-3-8-4-11(7-19)20-15(8)13(5-9)12-2-1-10(17)6-14(12)18/h1-3,5-6,11H,4,7,19H2.
What are the key properties of [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 295.72 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11335421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).