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

C19H23FN2O — CID 10935933

IUPAC1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(N)ccc21
InChIInChI=1S/C19H23FN2O/c1-22(2)11-3-10-19(15-4-6-16(20)7-5-15)18-9-8-17(21)12-14(18)13-23-19/h4-9,12H,3,10-11,13,21H2,1-2H3
InChIKeyBVSMMUHIUOQJRY-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.52
Rot. Bonds5

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

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine (PubChem CID 10935933) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine
PubChem CID10935933
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2cc(N)ccc21
InChIInChI=1S/C19H23FN2O/c1-22(2)11-3-10-19(15-4-6-16(20)7-5-15)18-9-8-17(21)12-14(18)13-23-19/h4-9,12H,3,10-11,13,21H2,1-2H3
InChIKeyBVSMMUHIUOQJRY-UHFFFAOYSA-N
XLogP3.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 17924692
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CID 20736585
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CID 21020370
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CID 21339438
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine?
The IUPAC name of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine (CID 10935933) is 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine is CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(N)ccc21.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine?
The InChIKey is BVSMMUHIUOQJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-22(2)11-3-10-19(15-4-6-16(20)7-5-15)18-9-8-17(21)12-14(18)13-23-19/h4-9,12H,3,10-11,13,21H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine?
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-amine has a molecular weight of 314.40 g/mol, XLogP of 3.52, 5 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)-3H-2-benzofuran-5-amine is sourced from PubChem (CID 10935933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).