2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline

C23H25NO3 — CID 144738945

IUPAC2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1ccc(OC)c(-c2ccccc2OC)c1
InChIInChI=1S/C23H25NO3/c1-16-8-7-10-21(24-2)20(16)15-27-17-12-13-23(26-4)19(14-17)18-9-5-6-11-22(18)25-3/h5-14,24H,15H2,1-4H3
InChIKeyRAOXMKJMKAMFFE-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.30
Rot. Bonds7

About 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline

2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline (PubChem CID 144738945) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline
PubChem CID144738945
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1ccc(OC)c(-c2ccccc2OC)c1
InChIInChI=1S/C23H25NO3/c1-16-8-7-10-21(24-2)20(16)15-27-17-12-13-23(26-4)19(14-17)18-9-5-6-11-22(18)25-3/h5-14,24H,15H2,1-4H3
InChIKeyRAOXMKJMKAMFFE-UHFFFAOYSA-N
XLogP5.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
CID 144784982
2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
CID 144785029
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
2-[[3-(cyclohexylmethoxy)phenoxy]methyl]-N,3-dimethylaniline
CID 144834348
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
[3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenyl]-phenylmethanone
CID 144659514
1-[2-[[4-methoxy-3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146632139
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
CID 144784037

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline?
The IUPAC name of 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline (CID 144738945) is 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline.
What is the SMILES notation for 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline?
The canonical SMILES for 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline is CNc1cccc(C)c1COc1ccc(OC)c(-c2ccccc2OC)c1.
What is the InChIKey of 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline?
The InChIKey is RAOXMKJMKAMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-16-8-7-10-21(24-2)20(16)15-27-17-12-13-23(26-4)19(14-17)18-9-5-6-11-22(18)25-3/h5-14,24H,15H2,1-4H3.
What are the key properties of 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline?
2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline has a molecular weight of 363.46 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 144738945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).