4-(1,3-dihydro-2-benzofuran-1-yl)aniline

C14H13NO — CID 70600489

IUPAC4-(1,3-dihydro-2-benzofuran-1-yl)aniline
SMILESNc1ccc(C2OCc3ccccc32)cc1
InChIInChI=1S/C14H13NO/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-14/h1-8,14H,9,15H2
InChIKeyWHOGEYUKJFHOQM-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.89
Rot. Bonds1

About 4-(1,3-dihydro-2-benzofuran-1-yl)aniline

4-(1,3-dihydro-2-benzofuran-1-yl)aniline (PubChem CID 70600489) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(1,3-dihydro-2-benzofuran-1-yl)aniline.

Molecular Properties

Compound Name4-(1,3-dihydro-2-benzofuran-1-yl)aniline
PubChem CID70600489
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4-(1,3-dihydro-2-benzofuran-1-yl)aniline
SMILESNc1ccc(C2OCc3ccccc32)cc1
InChIInChI=1S/C14H13NO/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-14/h1-8,14H,9,15H2
InChIKeyWHOGEYUKJFHOQM-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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 4-(1,3-dihydro-2-benzofuran-1-yl)aniline?
The IUPAC name of 4-(1,3-dihydro-2-benzofuran-1-yl)aniline (CID 70600489) is 4-(1,3-dihydro-2-benzofuran-1-yl)aniline.
What is the SMILES notation for 4-(1,3-dihydro-2-benzofuran-1-yl)aniline?
The canonical SMILES for 4-(1,3-dihydro-2-benzofuran-1-yl)aniline is Nc1ccc(C2OCc3ccccc32)cc1.
What is the InChIKey of 4-(1,3-dihydro-2-benzofuran-1-yl)aniline?
The InChIKey is WHOGEYUKJFHOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-12-7-5-10(6-8-12)14-13-4-2-1-3-11(13)9-16-14/h1-8,14H,9,15H2.
What are the key properties of 4-(1,3-dihydro-2-benzofuran-1-yl)aniline?
4-(1,3-dihydro-2-benzofuran-1-yl)aniline has a molecular weight of 211.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydro-2-benzofuran-1-yl)aniline is sourced from PubChem (CID 70600489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).