4-ethoxy-3-(propoxymethyl)aniline

C12H19NO2 — CID 43260240

IUPAC4-ethoxy-3-(propoxymethyl)aniline
SMILESCCCOCc1cc(N)ccc1OCC
InChIInChI=1S/C12H19NO2/c1-3-7-14-9-10-8-11(13)5-6-12(10)15-4-2/h5-6,8H,3-4,7,9,13H2,1-2H3
InChIKeyUGHDMPCCCAORQG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.59
Rot. Bonds6

About 4-ethoxy-3-(propoxymethyl)aniline

4-ethoxy-3-(propoxymethyl)aniline (PubChem CID 43260240) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-ethoxy-3-(propoxymethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-3-(propoxymethyl)aniline
PubChem CID43260240
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-ethoxy-3-(propoxymethyl)aniline
SMILESCCCOCc1cc(N)ccc1OCC
InChIInChI=1S/C12H19NO2/c1-3-7-14-9-10-8-11(13)5-6-12(10)15-4-2/h5-6,8H,3-4,7,9,13H2,1-2H3
InChIKeyUGHDMPCCCAORQG-UHFFFAOYSA-N
XLogP2.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.59
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'}

Analyze 4-ethoxy-3-(propoxymethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560280
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43260207
4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
CID 43260203
4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 43260074
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
3-[(2,5-difluorophenoxy)methyl]-4-ethoxyaniline
CID 63268978
4-ethoxy-3-(oxan-2-ylmethoxymethyl)aniline
CID 43260061
4-propoxybenzene-1,3-diamine
CID 69462115
3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-4-ethoxyaniline
CID 43619967
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
2-[4-amino-2-(prop-2-enoxymethyl)phenoxy]ethanol
CID 66510838

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-(propoxymethyl)aniline?
The IUPAC name of 4-ethoxy-3-(propoxymethyl)aniline (CID 43260240) is 4-ethoxy-3-(propoxymethyl)aniline.
What is the SMILES notation for 4-ethoxy-3-(propoxymethyl)aniline?
The canonical SMILES for 4-ethoxy-3-(propoxymethyl)aniline is CCCOCc1cc(N)ccc1OCC.
What is the InChIKey of 4-ethoxy-3-(propoxymethyl)aniline?
The InChIKey is UGHDMPCCCAORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-7-14-9-10-8-11(13)5-6-12(10)15-4-2/h5-6,8H,3-4,7,9,13H2,1-2H3.
What are the key properties of 4-ethoxy-3-(propoxymethyl)aniline?
4-ethoxy-3-(propoxymethyl)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-(propoxymethyl)aniline is sourced from PubChem (CID 43260240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).