3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline

C16H19NO2 — CID 144738896

IUPAC3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
SMILESCNc1cccc(OC)c1COc1ccccc1C
InChIInChI=1S/C16H19NO2/c1-12-7-4-5-9-15(12)19-11-13-14(17-2)8-6-10-16(13)18-3/h4-10,17H,11H2,1-3H3
InChIKeySELQZWRJYCHCLP-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.62
Rot. Bonds5

About 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline

3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline (PubChem CID 144738896) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
PubChem CID144738896
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
SMILESCNc1cccc(OC)c1COc1ccccc1C
InChIInChI=1S/C16H19NO2/c1-12-7-4-5-9-15(12)19-11-13-14(17-2)8-6-10-16(13)18-3/h4-10,17H,11H2,1-3H3
InChIKeySELQZWRJYCHCLP-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline
CID 144739122
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
CID 144784037
2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline
CID 144738945
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
3-methoxy-N-methyl-2-[[2-methyl-4-[2-(2-methylpropyl)pyrazol-3-yl]phenoxy]methyl]aniline
CID 129109868
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-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
[3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenyl]-phenylmethanone
CID 144659514

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The IUPAC name of 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline (CID 144738896) is 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline.
What is the SMILES notation for 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The canonical SMILES for 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline is CNc1cccc(OC)c1COc1ccccc1C.
What is the InChIKey of 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The InChIKey is SELQZWRJYCHCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-7-4-5-9-15(12)19-11-13-14(17-2)8-6-10-16(13)18-3/h4-10,17H,11H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline has a molecular weight of 257.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline is sourced from PubChem (CID 144738896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).