2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline

C17H17NO — CID 114731830

IUPAC2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline
SMILESCCc1cc(-c2cc3cc(C)ccc3o2)ccc1N
InChIInChI=1S/C17H17NO/c1-3-12-9-13(5-6-15(12)18)17-10-14-8-11(2)4-7-16(14)19-17/h4-10H,3,18H2,1-2H3
InChIKeyDNKPDDAMCXSUPF-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.55
Rot. Bonds2

About 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline

2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline (PubChem CID 114731830) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline.

Molecular Properties

Compound Name2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline
PubChem CID114731830
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline
SMILESCCc1cc(-c2cc3cc(C)ccc3o2)ccc1N
InChIInChI=1S/C17H17NO/c1-3-12-9-13(5-6-15(12)18)17-10-14-8-11(2)4-7-16(14)19-17/h4-10H,3,18H2,1-2H3
InChIKeyDNKPDDAMCXSUPF-UHFFFAOYSA-N
XLogP4.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.55
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-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline?
The IUPAC name of 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline (CID 114731830) is 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline.
What is the SMILES notation for 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline?
The canonical SMILES for 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline is CCc1cc(-c2cc3cc(C)ccc3o2)ccc1N.
What is the InChIKey of 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline?
The InChIKey is DNKPDDAMCXSUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-12-9-13(5-6-15(12)18)17-10-14-8-11(2)4-7-16(14)19-17/h4-10H,3,18H2,1-2H3.
What are the key properties of 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline?
2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline has a molecular weight of 251.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(5-methyl-1-benzofuran-2-yl)aniline is sourced from PubChem (CID 114731830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).