4-(5-chloro-1-benzofuran-2-yl)aniline

C14H10ClNO — CID 618356

IUPAC4-(5-chloro-1-benzofuran-2-yl)aniline
SMILESNc1ccc(-c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C14H10ClNO/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8H,16H2
InChIKeyLMYHEZAAULBYAQ-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.34
Rot. Bonds1

About 4-(5-chloro-1-benzofuran-2-yl)aniline

4-(5-chloro-1-benzofuran-2-yl)aniline (PubChem CID 618356) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(5-chloro-1-benzofuran-2-yl)aniline.

Molecular Properties

Compound Name4-(5-chloro-1-benzofuran-2-yl)aniline
PubChem CID618356
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name4-(5-chloro-1-benzofuran-2-yl)aniline
SMILESNc1ccc(-c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C14H10ClNO/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8H,16H2
InChIKeyLMYHEZAAULBYAQ-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 4-(5-chloro-1-benzofuran-2-yl)aniline?
The IUPAC name of 4-(5-chloro-1-benzofuran-2-yl)aniline (CID 618356) is 4-(5-chloro-1-benzofuran-2-yl)aniline.
What is the SMILES notation for 4-(5-chloro-1-benzofuran-2-yl)aniline?
The canonical SMILES for 4-(5-chloro-1-benzofuran-2-yl)aniline is Nc1ccc(-c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 4-(5-chloro-1-benzofuran-2-yl)aniline?
The InChIKey is LMYHEZAAULBYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8H,16H2.
What are the key properties of 4-(5-chloro-1-benzofuran-2-yl)aniline?
4-(5-chloro-1-benzofuran-2-yl)aniline 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 4-(5-chloro-1-benzofuran-2-yl)aniline is sourced from PubChem (CID 618356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).