3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine

C18H20FNO — CID 65447213

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-20-17(14-4-6-16(19)7-5-14)8-2-13-3-9-18-15(12-13)10-11-21-18/h3-7,9,12,17,20H,2,8,10-11H2,1H3
InChIKeyWAINSRXCZFZYSO-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.65
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 65447213) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID65447213
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc2c(c1)CCO2)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-20-17(14-4-6-16(19)7-5-14)8-2-13-3-9-18-15(12-13)10-11-21-18/h3-7,9,12,17,20H,2,8,10-11H2,1H3
InChIKeyWAINSRXCZFZYSO-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
CID 79707540
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65444972
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
1-(4-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 65445154
1-(5-chlorothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864488
1-(2-bromofuran-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 106857730
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 65446272
1-(3-bromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 115864445
1-(2,3-dihydro-1-benzofuran-5-yl)-N,4,5-trimethylhexan-3-amine
CID 115864502
1-(2,3-dihydro-1-benzofuran-5-yl)-N,5,5-trimethylhexan-3-amine
CID 65445712
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine (CID 65447213) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine is CNC(CCc1ccc2c(c1)CCO2)c1ccc(F)cc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is WAINSRXCZFZYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-20-17(14-4-6-16(19)7-5-14)8-2-13-3-9-18-15(12-13)10-11-21-18/h3-7,9,12,17,20H,2,8,10-11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 285.36 g/mol, XLogP of 3.65, 5 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-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 65447213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).