2-(1-benzofuran-3-yl)-6-chloroaniline

C14H10ClNO — CID 152976809

IUPAC2-(1-benzofuran-3-yl)-6-chloroaniline
SMILESNc1c(Cl)cccc1-c1coc2ccccc12
InChIInChI=1S/C14H10ClNO/c15-12-6-3-5-10(14(12)16)11-8-17-13-7-2-1-4-9(11)13/h1-8H,16H2
InChIKeyUTOPASPMJJXWAM-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.34
Rot. Bonds1

About 2-(1-benzofuran-3-yl)-6-chloroaniline

2-(1-benzofuran-3-yl)-6-chloroaniline (PubChem CID 152976809) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-6-chloroaniline.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-6-chloroaniline
PubChem CID152976809
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name2-(1-benzofuran-3-yl)-6-chloroaniline
SMILESNc1c(Cl)cccc1-c1coc2ccccc12
InChIInChI=1S/C14H10ClNO/c15-12-6-3-5-10(14(12)16)11-8-17-13-7-2-1-4-9(11)13/h1-8H,16H2
InChIKeyUTOPASPMJJXWAM-UHFFFAOYSA-N
XLogP4.34
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.34
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 2-(1-benzofuran-3-yl)-6-chloroaniline?
The IUPAC name of 2-(1-benzofuran-3-yl)-6-chloroaniline (CID 152976809) is 2-(1-benzofuran-3-yl)-6-chloroaniline.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-6-chloroaniline?
The canonical SMILES for 2-(1-benzofuran-3-yl)-6-chloroaniline is Nc1c(Cl)cccc1-c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-6-chloroaniline?
The InChIKey is UTOPASPMJJXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-12-6-3-5-10(14(12)16)11-8-17-13-7-2-1-4-9(11)13/h1-8H,16H2.
What are the key properties of 2-(1-benzofuran-3-yl)-6-chloroaniline?
2-(1-benzofuran-3-yl)-6-chloroaniline has a molecular weight of 243.69 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-6-chloroaniline is sourced from PubChem (CID 152976809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).