N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline

C17H17NO2 — CID 60931110

IUPACN-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1cc2ccccc2o1
InChIInChI=1S/C17H17NO2/c1-12-7-8-15(17(9-12)19-2)18-11-14-10-13-5-3-4-6-16(13)20-14/h3-10,18H,11H2,1-2H3
InChIKeyZVZYYIORGLVFRS-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.36
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline

N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline (PubChem CID 60931110) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline
PubChem CID60931110
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1cc2ccccc2o1
InChIInChI=1S/C17H17NO2/c1-12-7-8-15(17(9-12)19-2)18-11-14-10-13-5-3-4-6-16(13)20-14/h3-10,18H,11H2,1-2H3
InChIKeyZVZYYIORGLVFRS-UHFFFAOYSA-N
XLogP4.36
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline
CID 60935044
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
4-(1-benzofuran-2-ylmethylamino)-3-methylbenzoic acid
CID 43736002
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline
CID 43683009
2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
CID 60932472
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61166186
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
CID 55013176
5-[(2-methoxy-4-methylanilino)methyl]furan-3-carboxylic acid
CID 104608703
2-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline (CID 60931110) is N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline is COc1cc(C)ccc1NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline?
The InChIKey is ZVZYYIORGLVFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-7-8-15(17(9-12)19-2)18-11-14-10-13-5-3-4-6-16(13)20-14/h3-10,18H,11H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline?
N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline has a molecular weight of 267.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline is sourced from PubChem (CID 60931110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).