2-(2,7-dimethyl-1H-indol-3-yl)ethanamine

C12H16N2 — CID 594142

IUPAC2-(2,7-dimethyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(C)cccc2c1CCN
InChIInChI=1S/C12H16N2/c1-8-4-3-5-11-10(6-7-13)9(2)14-12(8)11/h3-5,14H,6-7,13H2,1-2H3
InChIKeyMRCZUYPMFAPJQH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.29
Rot. Bonds2

About 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine

2-(2,7-dimethyl-1H-indol-3-yl)ethanamine (PubChem CID 594142) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,7-dimethyl-1H-indol-3-yl)ethanamine
PubChem CID594142
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(2,7-dimethyl-1H-indol-3-yl)ethanamine
SMILESCc1[nH]c2c(C)cccc2c1CCN
InChIInChI=1S/C12H16N2/c1-8-4-3-5-11-10(6-7-13)9(2)14-12(8)11/h3-5,14H,6-7,13H2,1-2H3
InChIKeyMRCZUYPMFAPJQH-UHFFFAOYSA-N
XLogP2.29
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.29
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

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Iprindole
CID 21722

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine (CID 594142) is 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine is Cc1[nH]c2c(C)cccc2c1CCN.
What is the InChIKey of 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine?
The InChIKey is MRCZUYPMFAPJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-4-3-5-11-10(6-7-13)9(2)14-12(8)11/h3-5,14H,6-7,13H2,1-2H3.
What are the key properties of 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine?
2-(2,7-dimethyl-1H-indol-3-yl)ethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 594142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).