1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine

C20H25FN2O — CID 20670082

IUPAC1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine
SMILESCNc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-22-18-9-10-19-15(13-18)14-24-20(19,11-4-12-23(2)3)16-5-7-17(21)8-6-16/h5-10,13,22H,4,11-12,14H2,1-3H3
InChIKeySRIIPQWXTADJQX-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.98
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine (PubChem CID 20670082) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine
PubChem CID20670082
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine
SMILESCNc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-22-18-9-10-19-15(13-18)14-24-20(19,11-4-12-23(2)3)16-5-7-17(21)8-6-16/h5-10,13,22H,4,11-12,14H2,1-3H3
InChIKeySRIIPQWXTADJQX-UHFFFAOYSA-N
XLogP3.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine (CID 20670082) is 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine is CNc1ccc2c(c1)COC2(CCCN(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine?
The InChIKey is SRIIPQWXTADJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-22-18-9-10-19-15(13-18)14-24-20(19,11-4-12-23(2)3)16-5-7-17(21)8-6-16/h5-10,13,22H,4,11-12,14H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine?
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine has a molecular weight of 328.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-N-methyl-3H-2-benzofuran-5-amine is sourced from PubChem (CID 20670082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).