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

C13H18N2O — CID 117173980

IUPAC2-(ethoxymethyl)-1-ethylindol-4-amine
SMILESCCOCc1cc2c(N)cccc2n1CC
InChIInChI=1S/C13H18N2O/c1-3-15-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8H,3-4,9,14H2,1-2H3
InChIKeyRURQZFQHHYWNFX-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.78
Rot. Bonds4

About 2-(ethoxymethyl)-1-ethylindol-4-amine

2-(ethoxymethyl)-1-ethylindol-4-amine (PubChem CID 117173980) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-ethylindol-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-ethylindol-4-amine
PubChem CID117173980
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(ethoxymethyl)-1-ethylindol-4-amine
SMILESCCOCc1cc2c(N)cccc2n1CC
InChIInChI=1S/C13H18N2O/c1-3-15-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8H,3-4,9,14H2,1-2H3
InChIKeyRURQZFQHHYWNFX-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 2-(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

2-(ethoxymethyl)-1-ethylindol-4-ol
CID 117173988
2-(ethoxymethyl)-1-ethyl-4-fluoroindole
CID 117173996
1-ethyl-2-(methylsulfonylmethyl)indol-4-amine
CID 117173779
2-(ethoxymethyl)-1-ethylindole
CID 117173973
1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
CID 117173982
methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate
CID 142731581
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
3-(ethoxymethyl)-1-ethylindol-4-amine
CID 117171998
9-ethylcarbazol-3-amine;naphthalen-1-amine
CID 66872678
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-ethylindol-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1-ethylindol-4-amine (CID 117173980) is 2-(ethoxymethyl)-1-ethylindol-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1-ethylindol-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1-ethylindol-4-amine is CCOCc1cc2c(N)cccc2n1CC.
What is the InChIKey of 2-(ethoxymethyl)-1-ethylindol-4-amine?
The InChIKey is RURQZFQHHYWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-15-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8H,3-4,9,14H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-ethylindol-4-amine?
2-(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 2-(ethoxymethyl)-1-ethylindol-4-amine is sourced from PubChem (CID 117173980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).