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

C18H19NO2 — CID 60935044

IUPACN-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cc2ccccc2o1
InChIInChI=1S/C18H19NO2/c1-3-20-18-10-13(2)8-9-16(18)19-12-15-11-14-6-4-5-7-17(14)21-15/h4-11,19H,3,12H2,1-2H3
InChIKeyXLKGKRIEYJGBIB-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.75
Rot. Bonds5

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

N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline (PubChem CID 60935044) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline
PubChem CID60935044
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cc2ccccc2o1
InChIInChI=1S/C18H19NO2/c1-3-20-18-10-13(2)8-9-16(18)19-12-15-11-14-6-4-5-7-17(14)21-15/h4-11,19H,3,12H2,1-2H3
InChIKeyXLKGKRIEYJGBIB-UHFFFAOYSA-N
XLogP4.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60931110
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
4-(1-benzofuran-2-ylmethylamino)-3-methylbenzoic acid
CID 43736002
2-ethoxy-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 87029742
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416
N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline
CID 43683009
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
CID 54864634
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
CID 55013176
2-ethoxy-N-[(2-ethylpyrazol-3-yl)methyl]-4-methylaniline
CID 115762789
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 102834467

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline (CID 60935044) is N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline is CCOc1cc(C)ccc1NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline?
The InChIKey is XLKGKRIEYJGBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-20-18-10-13(2)8-9-16(18)19-12-15-11-14-6-4-5-7-17(14)21-15/h4-11,19H,3,12H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline?
N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline has a molecular weight of 281.36 g/mol, XLogP of 4.75, 5 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-ethoxy-4-methylaniline is sourced from PubChem (CID 60935044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).