3-(ethoxymethyl)-1-ethylindol-4-amine

C13H18N2O — CID 117171998

IUPAC3-(ethoxymethyl)-1-ethylindol-4-amine
SMILESCCOCc1cn(CC)c2cccc(N)c12
InChIInChI=1S/C13H18N2O/c1-3-15-8-10(9-16-4-2)13-11(14)6-5-7-12(13)15/h5-8H,3-4,9,14H2,1-2H3
InChIKeyUIHGDGHNAFDHNN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.78
Rot. Bonds4

About 3-(ethoxymethyl)-1-ethylindol-4-amine

3-(ethoxymethyl)-1-ethylindol-4-amine (PubChem CID 117171998) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(ethoxymethyl)-1-ethylindol-4-amine.

Molecular Properties

Compound Name3-(ethoxymethyl)-1-ethylindol-4-amine
PubChem CID117171998
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(ethoxymethyl)-1-ethylindol-4-amine
SMILESCCOCc1cn(CC)c2cccc(N)c12
InChIInChI=1S/C13H18N2O/c1-3-15-8-10(9-16-4-2)13-11(14)6-5-7-12(13)15/h5-8H,3-4,9,14H2,1-2H3
InChIKeyUIHGDGHNAFDHNN-UHFFFAOYSA-N
XLogP2.78
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(ethoxymethyl)-1-ethylindol-4-amine 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

[3-(ethoxymethyl)-1-ethylindol-4-yl]methanamine
CID 117171670
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
3-[(dimethylamino)methyl]-1-ethylindol-4-amine
CID 117171719
O-[(1-ethyl-3-methylindol-4-yl)methyl]hydroxylamine
CID 117204415
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
2-(ethoxymethyl)-1-ethylindol-4-amine
CID 117173980
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine
CID 117171659
1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
CID 117171919
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
CID 117171901
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-1-ethylindol-4-amine?
The IUPAC name of 3-(ethoxymethyl)-1-ethylindol-4-amine (CID 117171998) is 3-(ethoxymethyl)-1-ethylindol-4-amine.
What is the SMILES notation for 3-(ethoxymethyl)-1-ethylindol-4-amine?
The canonical SMILES for 3-(ethoxymethyl)-1-ethylindol-4-amine is CCOCc1cn(CC)c2cccc(N)c12.
What is the InChIKey of 3-(ethoxymethyl)-1-ethylindol-4-amine?
The InChIKey is UIHGDGHNAFDHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15-8-10(9-16-4-2)13-11(14)6-5-7-12(13)15/h5-8H,3-4,9,14H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-1-ethylindol-4-amine?
3-(ethoxymethyl)-1-ethylindol-4-amine has a molecular weight of 218.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-1-ethylindol-4-amine is sourced from PubChem (CID 117171998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).