4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline

C19H21NO — CID 43666008

IUPAC4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
SMILESCCc1ccc(NCc2c(CC)oc3ccccc23)cc1
InChIInChI=1S/C19H21NO/c1-3-14-9-11-15(12-10-14)20-13-17-16-7-5-6-8-19(16)21-18(17)4-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyMELNTHYLKXPDRV-UHFFFAOYSA-N
MW279.38 g/mol
LogP5.17
Rot. Bonds5

About 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline

4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline (PubChem CID 43666008) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
PubChem CID43666008
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
SMILESCCc1ccc(NCc2c(CC)oc3ccccc23)cc1
InChIInChI=1S/C19H21NO/c1-3-14-9-11-15(12-10-14)20-13-17-16-7-5-6-8-19(16)21-18(17)4-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyMELNTHYLKXPDRV-UHFFFAOYSA-N
XLogP5.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline
CID 43666012
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
CID 43666009
4-bromo-3-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 107618736
3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
CID 107582283
2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 65469504
1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 60902981
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The IUPAC name of 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline (CID 43666008) is 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The canonical SMILES for 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline is CCc1ccc(NCc2c(CC)oc3ccccc23)cc1.
What is the InChIKey of 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The InChIKey is MELNTHYLKXPDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-14-9-11-15(12-10-14)20-13-17-16-7-5-6-8-19(16)21-18(17)4-2/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline has a molecular weight of 279.38 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline is sourced from PubChem (CID 43666008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).