1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine

C13H18N2 — CID 82279274

IUPAC1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine
SMILESCCc1ccc2[nH]c(C)c(C(C)N)c2c1
InChIInChI=1S/C13H18N2/c1-4-10-5-6-12-11(7-10)13(8(2)14)9(3)15-12/h5-8,15H,4,14H2,1-3H3
InChIKeyFBNHBQCNZLHFQJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.06
Rot. Bonds2

About 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine

1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 82279274) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID82279274
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine
SMILESCCc1ccc2[nH]c(C)c(C(C)N)c2c1
InChIInChI=1S/C13H18N2/c1-4-10-5-6-12-11(7-10)13(8(2)14)9(3)15-12/h5-8,15H,4,14H2,1-3H3
InChIKeyFBNHBQCNZLHFQJ-UHFFFAOYSA-N
XLogP3.06
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(5-ethyl-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

1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82279096
3-bromo-5-ethyl-2-methyl-1H-indole
CID 82279891
1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
CID 115006304
2-methyl-3-propan-2-yl-6-propyl-1H-quinolin-4-one
CID 62915868
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 702770
2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
CID 82501769
6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 82275010
1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82279305
10-ethyl-7H-benzo[c]carbazole
CID 131998873
1-(2-methyl-1H-benzo[g]indol-3-yl)ethanamine
CID 105482293
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 84670916

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine (CID 82279274) is 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine is CCc1ccc2[nH]c(C)c(C(C)N)c2c1.
What is the InChIKey of 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is FBNHBQCNZLHFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-10-5-6-12-11(7-10)13(8(2)14)9(3)15-12/h5-8,15H,4,14H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine?
1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82279274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).