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

C17H18FNO — CID 65447215

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
SMILESNC(CCc1ccc2c(c1)CCO2)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c18-15-3-1-2-13(11-15)16(19)6-4-12-5-7-17-14(10-12)8-9-20-17/h1-3,5,7,10-11,16H,4,6,8-9,19H2
InChIKeyJPSVALPLFANNJW-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.39
Rot. Bonds4

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

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine (PubChem CID 65447215) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
PubChem CID65447215
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
SMILESNC(CCc1ccc2c(c1)CCO2)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c18-15-3-1-2-13(11-15)16(19)6-4-12-5-7-17-14(10-12)8-9-20-17/h1-3,5,7,10-11,16H,4,6,8-9,19H2
InChIKeyJPSVALPLFANNJW-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864584
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
1-(2-bromo-4-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864580
1-(2-bromo-3-fluorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864593
(1S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81352058
1-(3-bromo-4-methylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864516
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 71986955
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
1-(2,5-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864532
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65447213
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
CID 794253

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine (CID 65447215) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine is NC(CCc1ccc2c(c1)CCO2)c1cccc(F)c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is JPSVALPLFANNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-3-1-2-13(11-15)16(19)6-4-12-5-7-17-14(10-12)8-9-20-17/h1-3,5,7,10-11,16H,4,6,8-9,19H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 65447215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).