4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline

C17H21NO2 — CID 60936145

IUPAC4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
SMILESCCOc1ccc(NCc2cccc(OC)c2)c(C)c1
InChIInChI=1S/C17H21NO2/c1-4-20-16-8-9-17(13(2)10-16)18-12-14-6-5-7-15(11-14)19-3/h5-11,18H,4,12H2,1-3H3
InChIKeyRIJVGTZAKOOIDX-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.01
Rot. Bonds6

About 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline

4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline (PubChem CID 60936145) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
PubChem CID60936145
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
SMILESCCOc1ccc(NCc2cccc(OC)c2)c(C)c1
InChIInChI=1S/C17H21NO2/c1-4-20-16-8-9-17(13(2)10-16)18-12-14-6-5-7-15(11-14)19-3/h5-11,18H,4,12H2,1-3H3
InChIKeyRIJVGTZAKOOIDX-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
6-chloro-N-[(3-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113431252
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline (CID 60936145) is 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline is CCOc1ccc(NCc2cccc(OC)c2)c(C)c1.
What is the InChIKey of 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline?
The InChIKey is RIJVGTZAKOOIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-20-16-8-9-17(13(2)10-16)18-12-14-6-5-7-15(11-14)19-3/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline?
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline has a molecular weight of 271.36 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 60936145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).