(1-ethyl-6-methoxyindol-3-yl)methanamine

C12H16N2O — CID 117122317

IUPAC(1-ethyl-6-methoxyindol-3-yl)methanamine
SMILESCCn1cc(CN)c2ccc(OC)cc21
InChIInChI=1S/C12H16N2O/c1-3-14-8-9(7-13)11-5-4-10(15-2)6-12(11)14/h4-6,8H,3,7,13H2,1-2H3
InChIKeyVJIBOQSYSGWHSV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.13
Rot. Bonds3

About (1-ethyl-6-methoxyindol-3-yl)methanamine

(1-ethyl-6-methoxyindol-3-yl)methanamine (PubChem CID 117122317) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1-ethyl-6-methoxyindol-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-6-methoxyindol-3-yl)methanamine
PubChem CID117122317
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1-ethyl-6-methoxyindol-3-yl)methanamine
SMILESCCn1cc(CN)c2ccc(OC)cc21
InChIInChI=1S/C12H16N2O/c1-3-14-8-9(7-13)11-5-4-10(15-2)6-12(11)14/h4-6,8H,3,7,13H2,1-2H3
InChIKeyVJIBOQSYSGWHSV-UHFFFAOYSA-N
XLogP2.13
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-ethyl-6-methoxyindol-3-yl)methanamine 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-(3-butyl-6-methoxyindol-1-yl)ethanamine
CID 83948678
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
2-(1-butyl-6-methoxyindol-3-yl)ethanamine
CID 83948665
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
2-(1-ethyl-6-methoxyindol-3-yl)propan-2-ol
CID 117122288
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
CID 40901056
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
3-[1-(3-aminopropyl)-6-methoxyindol-3-yl]propan-1-ol
CID 83945213
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-6-methoxyindol-3-yl)methanamine?
The IUPAC name of (1-ethyl-6-methoxyindol-3-yl)methanamine (CID 117122317) is (1-ethyl-6-methoxyindol-3-yl)methanamine.
What is the SMILES notation for (1-ethyl-6-methoxyindol-3-yl)methanamine?
The canonical SMILES for (1-ethyl-6-methoxyindol-3-yl)methanamine is CCn1cc(CN)c2ccc(OC)cc21.
What is the InChIKey of (1-ethyl-6-methoxyindol-3-yl)methanamine?
The InChIKey is VJIBOQSYSGWHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14-8-9(7-13)11-5-4-10(15-2)6-12(11)14/h4-6,8H,3,7,13H2,1-2H3.
What are the key properties of (1-ethyl-6-methoxyindol-3-yl)methanamine?
(1-ethyl-6-methoxyindol-3-yl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-methoxyindol-3-yl)methanamine is sourced from PubChem (CID 117122317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).