2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline

C18H18ClNO — CID 66254002

IUPAC2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
SMILESCCc1oc2ccccc2c1CNc1c(C)cccc1Cl
InChIInChI=1S/C18H18ClNO/c1-3-16-14(13-8-4-5-10-17(13)21-16)11-20-18-12(2)7-6-9-15(18)19/h4-10,20H,3,11H2,1-2H3
InChIKeyCLNVSOCYCDOVGF-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.57
Rot. Bonds4

About 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline

2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline (PubChem CID 66254002) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
PubChem CID66254002
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
SMILESCCc1oc2ccccc2c1CNc1c(C)cccc1Cl
InChIInChI=1S/C18H18ClNO/c1-3-16-14(13-8-4-5-10-17(13)21-16)11-20-18-12(2)7-6-9-15(18)19/h4-10,20H,3,11H2,1-2H3
InChIKeyCLNVSOCYCDOVGF-UHFFFAOYSA-N
XLogP5.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 65469504
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine
CID 65491280
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-(1-benzofuran-3-ylmethyl)-2-chloro-6-methylaniline
CID 80703405
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-fluoro-4-methylaniline
CID 43666009
1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
CID 66257993
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-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
2-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 43665979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline?
The IUPAC name of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline (CID 66254002) is 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline.
What is the SMILES notation for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline?
The canonical SMILES for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline is CCc1oc2ccccc2c1CNc1c(C)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline?
The InChIKey is CLNVSOCYCDOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-16-14(13-8-4-5-10-17(13)21-16)11-20-18-12(2)7-6-9-15(18)19/h4-10,20H,3,11H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline?
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline has a molecular weight of 299.80 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline is sourced from PubChem (CID 66254002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).