1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine

C19H21NO2 — CID 138858150

IUPAC1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1ccccc1CNC(C)Cc1ccc2occc2c1
InChIInChI=1S/C19H21NO2/c1-14(20-13-17-5-3-4-6-18(17)21-2)11-15-7-8-19-16(12-15)9-10-22-19/h3-10,12,14,20H,11,13H2,1-2H3
InChIKeyNSWWDACHSBMHLV-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.16
Rot. Bonds6

About 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine

1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine (PubChem CID 138858150) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine
PubChem CID138858150
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1ccccc1CNC(C)Cc1ccc2occc2c1
InChIInChI=1S/C19H21NO2/c1-14(20-13-17-5-3-4-6-18(17)21-2)11-15-7-8-19-16(12-15)9-10-22-19/h3-10,12,14,20H,11,13H2,1-2H3
InChIKeyNSWWDACHSBMHLV-UHFFFAOYSA-N
XLogP4.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine (CID 138858150) is 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine is COc1ccccc1CNC(C)Cc1ccc2occc2c1.
What is the InChIKey of 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is NSWWDACHSBMHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(20-13-17-5-3-4-6-18(17)21-2)11-15-7-8-19-16(12-15)9-10-22-19/h3-10,12,14,20H,11,13H2,1-2H3.
What are the key properties of 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine?
1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 295.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)-N-[(2-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 138858150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).