4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline

C16H14ClNO — CID 55193095

IUPAC4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline
SMILESCCc1oc2ccccc2c1-c1cc(Cl)ccc1N
InChIInChI=1S/C16H14ClNO/c1-2-14-16(11-5-3-4-6-15(11)19-14)12-9-10(17)7-8-13(12)18/h3-9H,2,18H2,1H3
InChIKeyXUWRGMHDHVENHL-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.90
Rot. Bonds2

About 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline

4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline (PubChem CID 55193095) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline
PubChem CID55193095
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline
SMILESCCc1oc2ccccc2c1-c1cc(Cl)ccc1N
InChIInChI=1S/C16H14ClNO/c1-2-14-16(11-5-3-4-6-15(11)19-14)12-9-10(17)7-8-13(12)18/h3-9H,2,18H2,1H3
InChIKeyXUWRGMHDHVENHL-UHFFFAOYSA-N
XLogP4.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.90
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-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline?
The IUPAC name of 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline (CID 55193095) is 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline.
What is the SMILES notation for 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline?
The canonical SMILES for 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline is CCc1oc2ccccc2c1-c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline?
The InChIKey is XUWRGMHDHVENHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-2-14-16(11-5-3-4-6-15(11)19-14)12-9-10(17)7-8-13(12)18/h3-9H,2,18H2,1H3.
What are the key properties of 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline?
4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline has a molecular weight of 271.75 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline is sourced from PubChem (CID 55193095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).