2-(ethoxymethoxy)-4-methylaniline

C10H15NO2 — CID 65365090

IUPAC2-(ethoxymethoxy)-4-methylaniline
SMILESCCOCOc1cc(C)ccc1N
InChIInChI=1S/C10H15NO2/c1-3-12-7-13-10-6-8(2)4-5-9(10)11/h4-6H,3,7,11H2,1-2H3
InChIKeyWQFDCSCOEGAJPR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.95
Rot. Bonds4

About 2-(ethoxymethoxy)-4-methylaniline

2-(ethoxymethoxy)-4-methylaniline (PubChem CID 65365090) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(ethoxymethoxy)-4-methylaniline.

Molecular Properties

Compound Name2-(ethoxymethoxy)-4-methylaniline
PubChem CID65365090
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(ethoxymethoxy)-4-methylaniline
SMILESCCOCOc1cc(C)ccc1N
InChIInChI=1S/C10H15NO2/c1-3-12-7-13-10-6-8(2)4-5-9(10)11/h4-6H,3,7,11H2,1-2H3
InChIKeyWQFDCSCOEGAJPR-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethoxymethoxy)-4-methylaniline
CID 106928951
4-methyl-2-propoxyaniline
CID 24698653
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
2-(fluoromethoxy)-4-methylaniline
CID 123529275
3-(ethoxymethoxy)-4-methylaniline
CID 65364310
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
[2-(ethoxymethoxy)-5-methylphenyl]-trifluoroboranuide
CID 65369939
2-(2-ethoxyphenoxy)-4-methylaniline
CID 26189556
4-(ethoxymethoxy)naphthalen-1-amine
CID 65364602
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)-4-methylaniline?
The IUPAC name of 2-(ethoxymethoxy)-4-methylaniline (CID 65365090) is 2-(ethoxymethoxy)-4-methylaniline.
What is the SMILES notation for 2-(ethoxymethoxy)-4-methylaniline?
The canonical SMILES for 2-(ethoxymethoxy)-4-methylaniline is CCOCOc1cc(C)ccc1N.
What is the InChIKey of 2-(ethoxymethoxy)-4-methylaniline?
The InChIKey is WQFDCSCOEGAJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-12-7-13-10-6-8(2)4-5-9(10)11/h4-6H,3,7,11H2,1-2H3.
What are the key properties of 2-(ethoxymethoxy)-4-methylaniline?
2-(ethoxymethoxy)-4-methylaniline has a molecular weight of 181.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)-4-methylaniline is sourced from PubChem (CID 65365090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).