N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline

C17H21NO2 — CID 60874269

IUPACN-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
SMILESCCOc1cccc(CNc2ccccc2COC)c1
InChIInChI=1S/C17H21NO2/c1-3-20-16-9-6-7-14(11-16)12-18-17-10-5-4-8-15(17)13-19-2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyZOZISXQCFBJHEK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.84
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline

N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline (PubChem CID 60874269) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
PubChem CID60874269
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
SMILESCCOc1cccc(CNc2ccccc2COC)c1
InChIInChI=1S/C17H21NO2/c1-3-20-16-9-6-7-14(11-16)12-18-17-10-5-4-8-15(17)13-19-2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyZOZISXQCFBJHEK-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
CID 60871982
2-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 60874267
[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
CID 61017001
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile
CID 43764488
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide
CID 77031477
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 43677797

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline (CID 60874269) is N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline is CCOc1cccc(CNc2ccccc2COC)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline?
The InChIKey is ZOZISXQCFBJHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-16-9-6-7-14(11-16)12-18-17-10-5-4-8-15(17)13-19-2/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline?
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline has a molecular weight of 271.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 60874269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).