3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline

C16H19NO2 — CID 54800907

IUPAC3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
SMILESCCOc1cccc(NCc2ccccc2OC)c1
InChIInChI=1S/C16H19NO2/c1-3-19-15-9-6-8-14(11-15)17-12-13-7-4-5-10-16(13)18-2/h4-11,17H,3,12H2,1-2H3
InChIKeyVUYPJQIQVURTBP-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.71
Rot. Bonds6

About 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline

3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline (PubChem CID 54800907) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
PubChem CID54800907
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
SMILESCCOc1cccc(NCc2ccccc2OC)c1
InChIInChI=1S/C16H19NO2/c1-3-19-15-9-6-8-14(11-15)17-12-13-7-4-5-10-16(13)18-2/h4-11,17H,3,12H2,1-2H3
InChIKeyVUYPJQIQVURTBP-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-phenylmethoxyaniline
CID 54801294
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
N-[(2-bromophenyl)methyl]-3-ethoxyaniline
CID 54865434
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
CID 79979514
N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
CID 174622940
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913927
N-[(3-ethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207330
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline (CID 54800907) is 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline is CCOc1cccc(NCc2ccccc2OC)c1.
What is the InChIKey of 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is VUYPJQIQVURTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-15-9-6-8-14(11-15)17-12-13-7-4-5-10-16(13)18-2/h4-11,17H,3,12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline?
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline has a molecular weight of 257.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 54800907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).