(3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine

C14H13NO2 — CID 93092131

IUPAC(3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@@H]1COc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C14H13NO2/c15-13-9-16-14-7-6-11(8-12(13)14)17-10-4-2-1-3-5-10/h1-8,13H,9,15H2/t13-/m1/s1
InChIKeyNQLBCTPNHBUULM-CYBMUJFWSA-N
MW227.26 g/mol
LogP2.87
Rot. Bonds2

About (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine

(3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 93092131) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID93092131
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@@H]1COc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C14H13NO2/c15-13-9-16-14-7-6-11(8-12(13)14)17-10-4-2-1-3-5-10/h1-8,13H,9,15H2/t13-/m1/s1
InChIKeyNQLBCTPNHBUULM-CYBMUJFWSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-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 (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine (CID 93092131) is (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine is N[C@@H]1COc2ccc(Oc3ccccc3)cc21.
What is the InChIKey of (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is NQLBCTPNHBUULM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13NO2/c15-13-9-16-14-7-6-11(8-12(13)14)17-10-4-2-1-3-5-10/h1-8,13H,9,15H2/t13-/m1/s1.
What are the key properties of (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine?
(3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 227.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-phenoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 93092131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).