2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine

C13H18N2 — CID 84670916

IUPAC2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
SMILESCCc1ccc2c(CCN)c(C)[nH]c2c1
InChIInChI=1S/C13H18N2/c1-3-10-4-5-12-11(6-7-14)9(2)15-13(12)8-10/h4-5,8,15H,3,6-7,14H2,1-2H3
InChIKeyPESVPTLSILTIIF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.54
Rot. Bonds3

About 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine

2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine (PubChem CID 84670916) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
PubChem CID84670916
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
SMILESCCc1ccc2c(CCN)c(C)[nH]c2c1
InChIInChI=1S/C13H18N2/c1-3-10-4-5-12-11(6-7-14)9(2)15-13(12)8-10/h4-5,8,15H,3,6-7,14H2,1-2H3
InChIKeyPESVPTLSILTIIF-UHFFFAOYSA-N
XLogP2.54
TPSA41.81 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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-(6-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496918
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
2-(6-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 105472777
1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82279096
3-(2-aminoethyl)-2,5-dimethyl-1H-indole-6-carboxylic acid
CID 83964250
3-ethyl-2-methyl-1H-indole-6-carbonitrile
CID 143660635
3-bromo-5-ethyl-2-methyl-1H-indole
CID 82279891
3-(2-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)propan-1-amine
CID 82404379
1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 82279274

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine (CID 84670916) is 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine is CCc1ccc2c(CCN)c(C)[nH]c2c1.
What is the InChIKey of 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is PESVPTLSILTIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-10-4-5-12-11(6-7-14)9(2)15-13(12)8-10/h4-5,8,15H,3,6-7,14H2,1-2H3.
What are the key properties of 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine?
2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 84670916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).