N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline

C16H19NO2 — CID 775305

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]aniline
SMILESCCOc1cc(CNc2ccccc2)ccc1OC
InChIInChI=1S/C16H19NO2/c1-3-19-16-11-13(9-10-15(16)18-2)12-17-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3
InChIKeyCUELNQLPVIDFLE-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.71
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline

N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline (PubChem CID 775305) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]aniline
PubChem CID775305
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]aniline
SMILESCCOc1cc(CNc2ccccc2)ccc1OC
InChIInChI=1S/C16H19NO2/c1-3-19-16-11-13(9-10-15(16)18-2)12-17-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3
InChIKeyCUELNQLPVIDFLE-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline (CID 775305) is N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline is CCOc1cc(CNc2ccccc2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline?
The InChIKey is CUELNQLPVIDFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-16-11-13(9-10-15(16)18-2)12-17-14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]aniline?
N-[(3-ethoxy-4-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-[(3-ethoxy-4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 775305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).