3-(methoxymethoxy)-5-methylaniline

C9H13NO2 — CID 143853876

IUPAC3-(methoxymethoxy)-5-methylaniline
SMILESCOCOc1cc(C)cc(N)c1
InChIInChI=1S/C9H13NO2/c1-7-3-8(10)5-9(4-7)12-6-11-2/h3-5H,6,10H2,1-2H3
InChIKeyAANMBSNTTNMJJC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.56
Rot. Bonds3

About 3-(methoxymethoxy)-5-methylaniline

3-(methoxymethoxy)-5-methylaniline (PubChem CID 143853876) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(methoxymethoxy)-5-methylaniline.

Molecular Properties

Compound Name3-(methoxymethoxy)-5-methylaniline
PubChem CID143853876
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(methoxymethoxy)-5-methylaniline
SMILESCOCOc1cc(C)cc(N)c1
InChIInChI=1S/C9H13NO2/c1-7-3-8(10)5-9(4-7)12-6-11-2/h3-5H,6,10H2,1-2H3
InChIKeyAANMBSNTTNMJJC-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-5-methylaniline
CID 67863452
3-butoxy-5-methylaniline
CID 112648427
1-(bromomethyl)-3-(methoxymethoxy)-5-methylbenzene
CID 53359201
3-methyl-5-prop-2-ynoxyaniline
CID 123389382
3-(3-methoxy-3-methylbutoxy)-5-methylaniline
CID 106664947
5-(methoxymethoxy)pyridin-3-amine
CID 174724923
3-(cyclohexylmethoxy)-5-methylaniline
CID 112648470
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
2-iodo-5-(methoxymethoxy)-1,3-dimethylbenzene
CID 150296892
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
4-(methoxymethoxy)-2-methylaniline
CID 14883323
3,5-dimethylaniline;hydrofluoride
CID 158073989

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-5-methylaniline?
The IUPAC name of 3-(methoxymethoxy)-5-methylaniline (CID 143853876) is 3-(methoxymethoxy)-5-methylaniline.
What is the SMILES notation for 3-(methoxymethoxy)-5-methylaniline?
The canonical SMILES for 3-(methoxymethoxy)-5-methylaniline is COCOc1cc(C)cc(N)c1.
What is the InChIKey of 3-(methoxymethoxy)-5-methylaniline?
The InChIKey is AANMBSNTTNMJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-3-8(10)5-9(4-7)12-6-11-2/h3-5H,6,10H2,1-2H3.
What are the key properties of 3-(methoxymethoxy)-5-methylaniline?
3-(methoxymethoxy)-5-methylaniline has a molecular weight of 167.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-5-methylaniline is sourced from PubChem (CID 143853876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).