(3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine

C16H17NO3 — CID 146387253

IUPAC(3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ccoc12)c1ccco1
InChIInChI=1S/C16H17NO3/c1-17-9-7-14(13-6-3-10-18-13)20-15-5-2-4-12-8-11-19-16(12)15/h2-6,8,10-11,14,17H,7,9H2,1H3/t14-/m1/s1
InChIKeyAXNURQVWWPEKFW-CQSZACIVSA-N
MW271.32 g/mol
LogP3.76
Rot. Bonds6

About (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine

(3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine (PubChem CID 146387253) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine
PubChem CID146387253
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2ccoc12)c1ccco1
InChIInChI=1S/C16H17NO3/c1-17-9-7-14(13-6-3-10-18-13)20-15-5-2-4-12-8-11-19-16(12)15/h2-6,8,10-11,14,17H,7,9H2,1H3/t14-/m1/s1
InChIKeyAXNURQVWWPEKFW-CQSZACIVSA-N
XLogP3.76
TPSA47.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine (CID 146387253) is (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine is CNCC[C@@H](Oc1cccc2ccoc12)c1ccco1.
What is the InChIKey of (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine?
The InChIKey is AXNURQVWWPEKFW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17-9-7-14(13-6-3-10-18-13)20-15-5-2-4-12-8-11-19-16(12)15/h2-6,8,10-11,14,17H,7,9H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine?
(3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzofuran-7-yloxy)-3-(furan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 146387253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).