3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

C20H24FNO — CID 10245065

IUPAC3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO/c1-15-5-10-19-16(13-15)14-23-20(19,11-4-12-22(2)3)17-6-8-18(21)9-7-17/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyVODYCNMYONAHMW-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.25
Rot. Bonds5

About 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 10245065) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID10245065
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO/c1-15-5-10-19-16(13-15)14-23-20(19,11-4-12-22(2)3)17-6-8-18(21)9-7-17/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyVODYCNMYONAHMW-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (CID 10245065) is 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is Cc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is VODYCNMYONAHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-15-5-10-19-16(13-15)14-23-20(19,11-4-12-22(2)3)17-6-8-18(21)9-7-17/h5-10,13H,4,11-12,14H2,1-3H3.
What are the key properties of 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 313.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-5-methyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10245065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).