2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine

C12H16N2O — CID 16184

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyNFDDCRIHMZGWBP-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.94
Rot. Bonds4

About 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine

2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine (PubChem CID 16184) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
PubChem CID16184
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
SMILESCNCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3
InChIKeyNFDDCRIHMZGWBP-UHFFFAOYSA-N
XLogP1.94
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine (CID 16184) is 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine is CNCCc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine?
The InChIKey is NFDDCRIHMZGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-6-5-9-8-14-12-4-3-10(15-2)7-11(9)12/h3-4,7-8,13-14H,5-6H2,1-2H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine?
2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine has a molecular weight of 204.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 16184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).