3-[2-(4-methylindol-1-yl)ethoxy]aniline

C17H18N2O — CID 43365841

IUPAC3-[2-(4-methylindol-1-yl)ethoxy]aniline
SMILESCc1cccc2c1ccn2CCOc1cccc(N)c1
InChIInChI=1S/C17H18N2O/c1-13-4-2-7-17-16(13)8-9-19(17)10-11-20-15-6-3-5-14(18)12-15/h2-9,12H,10-11,18H2,1H3
InChIKeyWALLQPLOWXHRKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.61
Rot. Bonds4

About 3-[2-(4-methylindol-1-yl)ethoxy]aniline

3-[2-(4-methylindol-1-yl)ethoxy]aniline (PubChem CID 43365841) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(4-methylindol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(4-methylindol-1-yl)ethoxy]aniline
PubChem CID43365841
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[2-(4-methylindol-1-yl)ethoxy]aniline
SMILESCc1cccc2c1ccn2CCOc1cccc(N)c1
InChIInChI=1S/C17H18N2O/c1-13-4-2-7-17-16(13)8-9-19(17)10-11-20-15-6-3-5-14(18)12-15/h2-9,12H,10-11,18H2,1H3
InChIKeyWALLQPLOWXHRKX-UHFFFAOYSA-N
XLogP3.61
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(4-methylindol-1-yl)ethoxy]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

3-[3-(4-bromoindol-1-yl)propoxy]aniline
CID 115351430
3-[2-(6-fluoroindol-1-yl)ethoxy]aniline
CID 43365850
1-(3-methoxypropyl)-4-methylindole
CID 116620203
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510
1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
CID 82147649
4-methoxy-3-[(4-methylindol-1-yl)methyl]aniline
CID 43341860
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734464
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylindol-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(4-methylindol-1-yl)ethoxy]aniline (CID 43365841) is 3-[2-(4-methylindol-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(4-methylindol-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(4-methylindol-1-yl)ethoxy]aniline is Cc1cccc2c1ccn2CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(4-methylindol-1-yl)ethoxy]aniline?
The InChIKey is WALLQPLOWXHRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-4-2-7-17-16(13)8-9-19(17)10-11-20-15-6-3-5-14(18)12-15/h2-9,12H,10-11,18H2,1H3.
What are the key properties of 3-[2-(4-methylindol-1-yl)ethoxy]aniline?
3-[2-(4-methylindol-1-yl)ethoxy]aniline has a molecular weight of 266.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylindol-1-yl)ethoxy]aniline is sourced from PubChem (CID 43365841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).