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

C17H17NO — CID 43665972

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
SMILESCCc1oc2ccccc2c1CNc1ccccc1
InChIInChI=1S/C17H17NO/c1-2-16-15(12-18-13-8-4-3-5-9-13)14-10-6-7-11-17(14)19-16/h3-11,18H,2,12H2,1H3
InChIKeyQLZZMHPHTBLKAB-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.61
Rot. Bonds4

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

N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline (PubChem CID 43665972) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
PubChem CID43665972
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
SMILESCCc1oc2ccccc2c1CNc1ccccc1
InChIInChI=1S/C17H17NO/c1-2-16-15(12-18-13-8-4-3-5-9-13)14-10-6-7-11-17(14)19-16/h3-11,18H,2,12H2,1H3
InChIKeyQLZZMHPHTBLKAB-UHFFFAOYSA-N
XLogP4.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43666008
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline
CID 43666012
3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
CID 107582283
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
CID 43666009
2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 65469504
4-bromo-3-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 107618736
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485353
2-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 43665979

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline (CID 43665972) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline is CCc1oc2ccccc2c1CNc1ccccc1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The InChIKey is QLZZMHPHTBLKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-16-15(12-18-13-8-4-3-5-9-13)14-10-6-7-11-17(14)19-16/h3-11,18H,2,12H2,1H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline has a molecular weight of 251.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline is sourced from PubChem (CID 43665972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).