2-(1H-indol-3-yl)-N,N-dimethoxyethanamine

C12H16N2O2 — CID 87617375

IUPAC2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
SMILESCON(CCc1c[nH]c2ccccc12)OC
InChIInChI=1S/C12H16N2O2/c1-15-14(16-2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyBGAUTBNTQXQZBD-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.14
Rot. Bonds5

About 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine

2-(1H-indol-3-yl)-N,N-dimethoxyethanamine (PubChem CID 87617375) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
PubChem CID87617375
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
SMILESCON(CCc1c[nH]c2ccccc12)OC
InChIInChI=1S/C12H16N2O2/c1-15-14(16-2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyBGAUTBNTQXQZBD-UHFFFAOYSA-N
XLogP2.14
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
3-[2-(dimethoxyamino)ethyl]-1H-indol-6-ol
CID 174323504
2-(1H-indol-3-yl)-N,N-bis[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 53494675
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
2-(1H-indol-3-yl)ethyl-methylcyanamide
CID 117029366
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156
3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine?
The IUPAC name of 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine (CID 87617375) is 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine.
What is the SMILES notation for 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine?
The canonical SMILES for 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine is CON(CCc1c[nH]c2ccccc12)OC.
What is the InChIKey of 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine?
The InChIKey is BGAUTBNTQXQZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-15-14(16-2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine?
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine has a molecular weight of 220.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N,N-dimethoxyethanamine is sourced from PubChem (CID 87617375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).