2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine

C13H18N2O — CID 156735251

IUPAC2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine
SMILES[2H]c1c(OC)ccc2c1c(CCN)c(C)n2C
InChIInChI=1S/C13H18N2O/c1-9-11(6-7-14)12-8-10(16-3)4-5-13(12)15(9)2/h4-5,8H,6-7,14H2,1-3H3/i8D
InChIKeyRXWFPSSQPBGPNU-BNEYPBHNSA-N
MW219.31 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine

2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine (PubChem CID 156735251) has the molecular formula C13H18N2O and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine
PubChem CID156735251
Molecular FormulaC13H18N2O
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Name2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine
SMILES[2H]c1c(OC)ccc2c1c(CCN)c(C)n2C
InChIInChI=1S/C13H18N2O/c1-9-11(6-7-14)12-8-10(16-3)4-5-13(12)15(9)2/h4-5,8H,6-7,14H2,1-3H3/i8D
InChIKeyRXWFPSSQPBGPNU-BNEYPBHNSA-N
XLogP2.00
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dimethyl-5-propan-2-yloxyindol-3-yl)ethanamine
CID 82498330
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
3-butyl-5-methoxy-1,2-dimethylindole
CID 129194050
2-(5,6-dimethoxy-1,2-dimethylindol-3-yl)ethanamine
CID 82498772
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
CID 82498291
4-(5-methoxy-1,2-dimethylindol-3-yl)butanoic acid
CID 82500817
3-amino-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one
CID 82118498
ethane;5-methoxy-1,2,3-trimethylindole
CID 143529502
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82500218
2-[5-(3-(19F)fluoro-5-fluorophenyl)sulfonyl-1,2-dimethylindol-3-yl]ethanamine
CID 10133373
6-(5-methoxy-1,2-dimethylindol-3-yl)pyridin-3-amine
CID 115110619

Frequently Asked Questions

What is the IUPAC name of 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine?
The IUPAC name of 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine (CID 156735251) is 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine?
The canonical SMILES for 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine is [2H]c1c(OC)ccc2c1c(CCN)c(C)n2C.
What is the InChIKey of 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine?
The InChIKey is RXWFPSSQPBGPNU-BNEYPBHNSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-11(6-7-14)12-8-10(16-3)4-5-13(12)15(9)2/h4-5,8H,6-7,14H2,1-3H3/i8D.
What are the key properties of 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine?
2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-deuterio-5-methoxy-1,2-dimethylindol-3-yl)ethanamine is sourced from PubChem (CID 156735251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).