3-(1-ethoxyethoxy)-4-methylaniline

C11H17NO2 — CID 70635531

IUPAC3-(1-ethoxyethoxy)-4-methylaniline
SMILESCCOC(C)Oc1cc(N)ccc1C
InChIInChI=1S/C11H17NO2/c1-4-13-9(3)14-11-7-10(12)6-5-8(11)2/h5-7,9H,4,12H2,1-3H3
InChIKeyPJQFGBCGMHCJMB-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.34
Rot. Bonds4

About 3-(1-ethoxyethoxy)-4-methylaniline

3-(1-ethoxyethoxy)-4-methylaniline (PubChem CID 70635531) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)-4-methylaniline.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)-4-methylaniline
PubChem CID70635531
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(1-ethoxyethoxy)-4-methylaniline
SMILESCCOC(C)Oc1cc(N)ccc1C
InChIInChI=1S/C11H17NO2/c1-4-13-9(3)14-11-7-10(12)6-5-8(11)2/h5-7,9H,4,12H2,1-3H3
InChIKeyPJQFGBCGMHCJMB-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.34
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

4-methyl-3-pentan-2-yloxyaniline
CID 107890554
4-(1-ethoxyethoxy)aniline
CID 139920192
3-(ethoxymethoxy)-4-methylaniline
CID 65364310
3-(methoxymethoxy)-4-methylaniline
CID 65365143
2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43520156
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
3-(4-ethylcyclohexyl)oxy-4-methylaniline
CID 64749047
3-[3-(4-ethoxyphenoxy)propoxy]-4-methylaniline
CID 82097221
3-hexadecoxy-4-methylaniline
CID 57081496
3-[1-(dicyclohexylamino)ethoxy]-4-methylaniline
CID 141005349
3-(diethoxyphosphorylmethoxy)-4-methylaniline
CID 59810332

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxy)-4-methylaniline?
The IUPAC name of 3-(1-ethoxyethoxy)-4-methylaniline (CID 70635531) is 3-(1-ethoxyethoxy)-4-methylaniline.
What is the SMILES notation for 3-(1-ethoxyethoxy)-4-methylaniline?
The canonical SMILES for 3-(1-ethoxyethoxy)-4-methylaniline is CCOC(C)Oc1cc(N)ccc1C.
What is the InChIKey of 3-(1-ethoxyethoxy)-4-methylaniline?
The InChIKey is PJQFGBCGMHCJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-13-9(3)14-11-7-10(12)6-5-8(11)2/h5-7,9H,4,12H2,1-3H3.
What are the key properties of 3-(1-ethoxyethoxy)-4-methylaniline?
3-(1-ethoxyethoxy)-4-methylaniline has a molecular weight of 195.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)-4-methylaniline is sourced from PubChem (CID 70635531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).