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

C14H13NO — CID 4131967

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)aniline
SMILESNc1cccc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H13NO/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-5,8-9H,6-7,15H2
InChIKeyCYZANXWYHUKUKO-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.87
Rot. Bonds1

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

3-(2,3-dihydro-1-benzofuran-5-yl)aniline (PubChem CID 4131967) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)aniline.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)aniline
PubChem CID4131967
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)aniline
SMILESNc1cccc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C14H13NO/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-5,8-9H,6-7,15H2
InChIKeyCYZANXWYHUKUKO-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)aniline?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)aniline (CID 4131967) is 3-(2,3-dihydro-1-benzofuran-5-yl)aniline.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)aniline?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)aniline is Nc1cccc(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)aniline?
The InChIKey is CYZANXWYHUKUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-5,8-9H,6-7,15H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)aniline?
3-(2,3-dihydro-1-benzofuran-5-yl)aniline has a molecular weight of 211.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)aniline is sourced from PubChem (CID 4131967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).