3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol

C17H18FNO2 — CID 65185260

IUPAC3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18FNO2/c18-15-4-2-1-3-13(15)14(10-19)17(20)12-5-6-16-11(9-12)7-8-21-16/h1-6,9,14,17,20H,7-8,10,19H2
InChIKeyYCMSYFVZZRWPPJ-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol

3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 65185260) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID65185260
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18FNO2/c18-15-4-2-1-3-13(15)14(10-19)17(20)12-5-6-16-11(9-12)7-8-21-16/h1-6,9,14,17,20H,7-8,10,19H2
InChIKeyYCMSYFVZZRWPPJ-UHFFFAOYSA-N
XLogP2.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65187604
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
1-(2,3-dihydro-1-benzofuran-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820027
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
5-[bromo-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81477363
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 114560436
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol (CID 65185260) is 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol is NCC(c1ccccc1F)C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is YCMSYFVZZRWPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-4-2-1-3-13(15)14(10-19)17(20)12-5-6-16-11(9-12)7-8-21-16/h1-6,9,14,17,20H,7-8,10,19H2.
What are the key properties of 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 287.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).