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

C16H19NO2 — CID 18778335

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
SMILESCCOc1c(CNc2ccccc2)cccc1OC
InChIInChI=1S/C16H19NO2/c1-3-19-16-13(8-7-11-15(16)18-2)12-17-14-9-5-4-6-10-14/h4-11,17H,3,12H2,1-2H3
InChIKeyWWUHQDLJOGFOSG-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.71
Rot. Bonds6

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

N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline (PubChem CID 18778335) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
PubChem CID18778335
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
SMILESCCOc1c(CNc2ccccc2)cccc1OC
InChIInChI=1S/C16H19NO2/c1-3-19-16-13(8-7-11-15(16)18-2)12-17-14-9-5-4-6-10-14/h4-11,17H,3,12H2,1-2H3
InChIKeyWWUHQDLJOGFOSG-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-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline
CID 39422650
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 39386959
N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
3-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059594
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline (CID 18778335) is N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline is CCOc1c(CNc2ccccc2)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline?
The InChIKey is WWUHQDLJOGFOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-16-13(8-7-11-15(16)18-2)12-17-14-9-5-4-6-10-14/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline?
N-[(2-ethoxy-3-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 N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 18778335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).