2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine

C15H22N2O — CID 65335149

IUPAC2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
SMILESCOCCNCc1c(C)[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)15-13(8-10)14(12(3)17-15)9-16-5-6-18-4/h7-8,16-17H,5-6,9H2,1-4H3
InChIKeyHDLXSDPAJSVDIZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.83
Rot. Bonds5

About 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine

2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine (PubChem CID 65335149) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
PubChem CID65335149
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine
SMILESCOCCNCc1c(C)[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)15-13(8-10)14(12(3)17-15)9-16-5-6-18-4/h7-8,16-17H,5-6,9H2,1-4H3
InChIKeyHDLXSDPAJSVDIZ-UHFFFAOYSA-N
XLogP2.83
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
5-Methyltryptamine
CID 15760
7-Methyltryptamine
CID 26714
3-(Morpholinomethyl)indole
CID 21477
3-((Dimethylamino)methyl)-2-methylindole
CID 181513
1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2,8-dimethyl-
CID 209291
1H,2H,3H,4H,5H-pyrido[4,3-b]indole
CID 723230
2-Methyl-1H-indole-3-ethylamine
CID 75949
8-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indole hydrochloride
CID 21510419
ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
CID 2937007
5-Methyl-N,N-dimethyltryptamine
CID 1837
2-(1H-indol-2-yl)ethan-1-amine
CID 439752

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine (CID 65335149) is 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine is COCCNCc1c(C)[nH]c2c(C)cc(C)cc12.
What is the InChIKey of 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine?
The InChIKey is HDLXSDPAJSVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-11(2)15-13(8-10)14(12(3)17-15)9-16-5-6-18-4/h7-8,16-17H,5-6,9H2,1-4H3.
What are the key properties of 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine?
2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2,5,7-trimethyl-1H-indol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65335149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).