4-(2-methyl-1-benzofuran-3-yl)aniline

C15H13NO — CID 116987369

IUPAC4-(2-methyl-1-benzofuran-3-yl)aniline
SMILESCc1oc2ccccc2c1-c1ccc(N)cc1
InChIInChI=1S/C15H13NO/c1-10-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)17-10/h2-9H,16H2,1H3
InChIKeyQCNASSJCYNSBSS-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.99
Rot. Bonds1

About 4-(2-methyl-1-benzofuran-3-yl)aniline

4-(2-methyl-1-benzofuran-3-yl)aniline (PubChem CID 116987369) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-methyl-1-benzofuran-3-yl)aniline.

Molecular Properties

Compound Name4-(2-methyl-1-benzofuran-3-yl)aniline
PubChem CID116987369
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name4-(2-methyl-1-benzofuran-3-yl)aniline
SMILESCc1oc2ccccc2c1-c1ccc(N)cc1
InChIInChI=1S/C15H13NO/c1-10-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)17-10/h2-9H,16H2,1H3
InChIKeyQCNASSJCYNSBSS-UHFFFAOYSA-N
XLogP3.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.99
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-(2-methyl-1-benzofuran-3-yl)aniline?
The IUPAC name of 4-(2-methyl-1-benzofuran-3-yl)aniline (CID 116987369) is 4-(2-methyl-1-benzofuran-3-yl)aniline.
What is the SMILES notation for 4-(2-methyl-1-benzofuran-3-yl)aniline?
The canonical SMILES for 4-(2-methyl-1-benzofuran-3-yl)aniline is Cc1oc2ccccc2c1-c1ccc(N)cc1.
What is the InChIKey of 4-(2-methyl-1-benzofuran-3-yl)aniline?
The InChIKey is QCNASSJCYNSBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)17-10/h2-9H,16H2,1H3.
What are the key properties of 4-(2-methyl-1-benzofuran-3-yl)aniline?
4-(2-methyl-1-benzofuran-3-yl)aniline has a molecular weight of 223.28 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-benzofuran-3-yl)aniline is sourced from PubChem (CID 116987369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).