2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline

C17H15Cl2NO — CID 65469504

IUPAC2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
SMILESCCc1oc2ccccc2c1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-2-15-12(11-6-3-4-9-16(11)21-15)10-20-17-13(18)7-5-8-14(17)19/h3-9,20H,2,10H2,1H3
InChIKeyATAZKEVEJCGBDE-UHFFFAOYSA-N
MW320.22 g/mol
LogP5.91
Rot. Bonds4

About 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline

2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline (PubChem CID 65469504) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
PubChem CID65469504
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
SMILESCCc1oc2ccccc2c1CNc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2NO/c1-2-15-12(11-6-3-4-9-16(11)21-15)10-20-17-13(18)7-5-8-14(17)19/h3-9,20H,2,10H2,1H3
InChIKeyATAZKEVEJCGBDE-UHFFFAOYSA-N
XLogP5.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine
CID 65491280
4-bromo-3-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 107618736
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
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
3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
CID 107582283
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
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
CID 43666009

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline (CID 65469504) is 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline is CCc1oc2ccccc2c1CNc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
The InChIKey is ATAZKEVEJCGBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-2-15-12(11-6-3-4-9-16(11)21-15)10-20-17-13(18)7-5-8-14(17)19/h3-9,20H,2,10H2,1H3.
What are the key properties of 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline?
2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline has a molecular weight of 320.22 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline is sourced from PubChem (CID 65469504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).