3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline

C15H12ClNO — CID 107579693

IUPAC3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C15H12ClNO/c1-9-4-10(7-13(17)5-9)15-8-11-6-12(16)2-3-14(11)18-15/h2-8H,17H2,1H3
InChIKeyHNFCHJHKYRARED-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.64
Rot. Bonds1

About 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline

3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline (PubChem CID 107579693) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline
PubChem CID107579693
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline
SMILESCc1cc(N)cc(-c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C15H12ClNO/c1-9-4-10(7-13(17)5-9)15-8-11-6-12(16)2-3-14(11)18-15/h2-8H,17H2,1H3
InChIKeyHNFCHJHKYRARED-UHFFFAOYSA-N
XLogP4.64
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.64
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-(5-chloro-1-benzofuran-2-yl)-5-methylaniline?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline (CID 107579693) is 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline is Cc1cc(N)cc(-c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline?
The InChIKey is HNFCHJHKYRARED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-9-4-10(7-13(17)5-9)15-8-11-6-12(16)2-3-14(11)18-15/h2-8H,17H2,1H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline?
3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline has a molecular weight of 257.72 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-yl)-5-methylaniline is sourced from PubChem (CID 107579693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).