3-(1,3-dihydro-2-benzofuran-5-yl)aniline

C14H13NO — CID 63020601

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)aniline
SMILESNc1cccc(-c2ccc3c(c2)COC3)c1
InChIInChI=1S/C14H13NO/c15-14-3-1-2-10(7-14)11-4-5-12-8-16-9-13(12)6-11/h1-7H,8-9,15H2
InChIKeyJNMBIIYCLXIDHS-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.97
Rot. Bonds1

About 3-(1,3-dihydro-2-benzofuran-5-yl)aniline

3-(1,3-dihydro-2-benzofuran-5-yl)aniline (PubChem CID 63020601) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)aniline.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)aniline
PubChem CID63020601
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)aniline
SMILESNc1cccc(-c2ccc3c(c2)COC3)c1
InChIInChI=1S/C14H13NO/c15-14-3-1-2-10(7-14)11-4-5-12-8-16-9-13(12)6-11/h1-7H,8-9,15H2
InChIKeyJNMBIIYCLXIDHS-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1,3-dihydro-2-benzofuran-5-yl)aniline 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 3-(1,3-dihydro-2-benzofuran-5-yl)aniline?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)aniline (CID 63020601) is 3-(1,3-dihydro-2-benzofuran-5-yl)aniline.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)aniline?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)aniline is Nc1cccc(-c2ccc3c(c2)COC3)c1.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)aniline?
The InChIKey is JNMBIIYCLXIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-14-3-1-2-10(7-14)11-4-5-12-8-16-9-13(12)6-11/h1-7H,8-9,15H2.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)aniline?
3-(1,3-dihydro-2-benzofuran-5-yl)aniline has a molecular weight of 211.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)aniline is sourced from PubChem (CID 63020601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).