N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine

C13H18N2 — CID 65333195

IUPACN-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCCNC(C)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-4-14-9(2)13-10(3)15-12-8-6-5-7-11(12)13/h5-9,14-15H,4H2,1-3H3
InChIKeyVYQSDDMNYNBZIR-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.15
Rot. Bonds3

About N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine

N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 65333195) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine
PubChem CID65333195
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine
SMILESCCNC(C)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-4-14-9(2)13-10(3)15-12-8-6-5-7-11(12)13/h5-9,14-15H,4H2,1-3H3
InChIKeyVYQSDDMNYNBZIR-UHFFFAOYSA-N
XLogP3.15
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine 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

N'-ethyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116934901
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
2-methyl-3-(1-phenoxyethyl)-1H-indole
CID 67859918
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 116907669
1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole
CID 2849002
bis(9H-carbazole);propane
CID 90987002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine (CID 65333195) is N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine is CCNC(C)c1c(C)[nH]c2ccccc12.
What is the InChIKey of N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is VYQSDDMNYNBZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-14-9(2)13-10(3)15-12-8-6-5-7-11(12)13/h5-9,14-15H,4H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine?
N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 65333195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).