1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine

C16H18N2O — CID 105189486

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine
SMILESNC(CCc1cccnc1)c1cccc2c1OCC2
InChIInChI=1S/C16H18N2O/c17-15(7-6-12-3-2-9-18-11-12)14-5-1-4-13-8-10-19-16(13)14/h1-5,9,11,15H,6-8,10,17H2
InChIKeyZVVCSHKHQFUSQA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.65
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine

1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 105189486) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine
PubChem CID105189486
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine
SMILESNC(CCc1cccnc1)c1cccc2c1OCC2
InChIInChI=1S/C16H18N2O/c17-15(7-6-12-3-2-9-18-11-12)14-5-1-4-13-8-10-19-16(13)14/h1-5,9,11,15H,6-8,10,17H2
InChIKeyZVVCSHKHQFUSQA-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-diethylpropane-1,3-diamine
CID 114745726
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine
CID 105152090
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-2-yl)ethanamine
CID 114744900
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-4-pyridinyl)methanol
CID 114744728
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114745488
N-[(2S)-1-hydroxy-3-pyridin-3-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 164635182
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine (CID 105189486) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine is NC(CCc1cccnc1)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is ZVVCSHKHQFUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-15(7-6-12-3-2-9-18-11-12)14-5-1-4-13-8-10-19-16(13)14/h1-5,9,11,15H,6-8,10,17H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine?
1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 254.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105189486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).