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

C15H13ClFNO — CID 11960666

IUPAC[7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3ccc(F)c(Cl)c3)c2O1
InChIInChI=1S/C15H13ClFNO/c16-13-7-9(4-5-14(13)17)12-3-1-2-10-6-11(8-18)19-15(10)12/h1-5,7,11H,6,8,18H2
InChIKeyJVFXJRDCKSRODA-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.41
Rot. Bonds2

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

[7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 11960666) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID11960666
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name[7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3ccc(F)c(Cl)c3)c2O1
InChIInChI=1S/C15H13ClFNO/c16-13-7-9(4-5-14(13)17)12-3-1-2-10-6-11(8-18)19-15(10)12/h1-5,7,11H,6,8,18H2
InChIKeyJVFXJRDCKSRODA-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.41
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
[7-(3,5-Difluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56702102
4-[2-(Aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol
CID 56709774
1-[7-(3-Fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-YL]methanamine
CID 56721982
1-(7-Methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine--hydrogen chloride (1/1)
CID 36480
2-Benzofuranmethylamine, 2,3-dihydro-7-chloro-, hydrochloride
CID 36509
[(1R,2S)-2-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]methanamine
CID 172467300
[(2R)-7-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69581205
(+/-)-1-(5-chloro-3,6,7,8-tetrahydro-2H-indeno[4,5-b]furan-2-yl)methanamine
CID 11379089

Frequently Asked Questions

What is the IUPAC name of [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 11960666) is [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cccc(-c3ccc(F)c(Cl)c3)c2O1.
What is the InChIKey of [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is JVFXJRDCKSRODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-13-7-9(4-5-14(13)17)12-3-1-2-10-6-11(8-18)19-15(10)12/h1-5,7,11H,6,8,18H2.
What are the key properties of [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 277.73 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 11960666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).