4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline

C17H17NO — CID 62956805

IUPAC4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline
SMILESCCc1oc2ccccc2c1-c1ccc(N)cc1C
InChIInChI=1S/C17H17NO/c1-3-15-17(13-9-8-12(18)10-11(13)2)14-6-4-5-7-16(14)19-15/h4-10H,3,18H2,1-2H3
InChIKeyIQUTYSKTZJAAIG-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.55
Rot. Bonds2

About 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline

4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline (PubChem CID 62956805) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline
PubChem CID62956805
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline
SMILESCCc1oc2ccccc2c1-c1ccc(N)cc1C
InChIInChI=1S/C17H17NO/c1-3-15-17(13-9-8-12(18)10-11(13)2)14-6-4-5-7-16(14)19-15/h4-10H,3,18H2,1-2H3
InChIKeyIQUTYSKTZJAAIG-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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Related Compounds

2-chloro-4-(2-ethyl-1-benzofuran-3-yl)-5-methylaniline
CID 104668341
2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline
CID 62957680
9-(4-amino-2-methylphenyl)xanthen-3-one
CID 143374251
4-dibenzofuran-2-yl-3-methylaniline
CID 61025593
6-ethyl-11-phenylindeno[1,2-c]chromene
CID 135026669
4-(2-methyl-1-benzofuran-3-yl)aniline
CID 116987369
dibenzofuran-2-amine
CID 19405
2-ethyl-3-pentyl-1-benzofuran
CID 70503240
2-ethyl-3-(4-fluorophenyl)chromen-4-one
CID 53234762
1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 62956806
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
4-[4-amino-2-(1-phenylethyl)phenyl]-3-methylaniline
CID 89362936

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline?
The IUPAC name of 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline (CID 62956805) is 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline.
What is the SMILES notation for 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline?
The canonical SMILES for 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline is CCc1oc2ccccc2c1-c1ccc(N)cc1C.
What is the InChIKey of 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline?
The InChIKey is IQUTYSKTZJAAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-3-15-17(13-9-8-12(18)10-11(13)2)14-6-4-5-7-16(14)19-15/h4-10H,3,18H2,1-2H3.
What are the key properties of 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline?
4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline 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 4-(2-ethyl-1-benzofuran-3-yl)-3-methylaniline is sourced from PubChem (CID 62956805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).