3-(ethoxymethoxy)-4-methylaniline

C10H15NO2 — CID 65364310

IUPAC3-(ethoxymethoxy)-4-methylaniline
SMILESCCOCOc1cc(N)ccc1C
InChIInChI=1S/C10H15NO2/c1-3-12-7-13-10-6-9(11)5-4-8(10)2/h4-6H,3,7,11H2,1-2H3
InChIKeyAVDCGYQITCRNFC-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.95
Rot. Bonds4

About 3-(ethoxymethoxy)-4-methylaniline

3-(ethoxymethoxy)-4-methylaniline (PubChem CID 65364310) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(ethoxymethoxy)-4-methylaniline.

Molecular Properties

Compound Name3-(ethoxymethoxy)-4-methylaniline
PubChem CID65364310
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(ethoxymethoxy)-4-methylaniline
SMILESCCOCOc1cc(N)ccc1C
InChIInChI=1S/C10H15NO2/c1-3-12-7-13-10-6-9(11)5-4-8(10)2/h4-6H,3,7,11H2,1-2H3
InChIKeyAVDCGYQITCRNFC-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

3-(methoxymethoxy)-4-methylaniline
CID 65365143
4-bromo-3-(ethoxymethoxy)aniline
CID 103009022
3-[3-(4-ethoxyphenoxy)propoxy]-4-methylaniline
CID 82097221
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
4-amino-2-(ethoxymethoxy)benzamide
CID 106955437
3-hexadecoxy-4-methylaniline
CID 57081496
2-(5-amino-2-methylphenoxy)acetonitrile
CID 43520229
3-(diethoxyphosphorylmethoxy)-4-methylaniline
CID 59810332
3-(3-fluoropropoxy)-4-methylaniline
CID 81107122
2-(ethoxymethoxy)-4-methylaniline
CID 65365090
ethane;ethyl 4-(5-amino-2-methylphenoxy)butanoate
CID 143753454
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethoxy)-4-methylaniline?
The IUPAC name of 3-(ethoxymethoxy)-4-methylaniline (CID 65364310) is 3-(ethoxymethoxy)-4-methylaniline.
What is the SMILES notation for 3-(ethoxymethoxy)-4-methylaniline?
The canonical SMILES for 3-(ethoxymethoxy)-4-methylaniline is CCOCOc1cc(N)ccc1C.
What is the InChIKey of 3-(ethoxymethoxy)-4-methylaniline?
The InChIKey is AVDCGYQITCRNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-12-7-13-10-6-9(11)5-4-8(10)2/h4-6H,3,7,11H2,1-2H3.
What are the key properties of 3-(ethoxymethoxy)-4-methylaniline?
3-(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 3-(ethoxymethoxy)-4-methylaniline is sourced from PubChem (CID 65364310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).