3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine

C14H20N2O3 — CID 83968694

IUPAC3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
SMILESCOc1cc2[nH]cc(CCCN)c2c(OC)c1OC
InChIInChI=1S/C14H20N2O3/c1-17-11-7-10-12(14(19-3)13(11)18-2)9(8-16-10)5-4-6-15/h7-8,16H,4-6,15H2,1-3H3
InChIKeyVDRNAZAEWLTULI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.09
Rot. Bonds6

About 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine

3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine (PubChem CID 83968694) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
PubChem CID83968694
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine
SMILESCOc1cc2[nH]cc(CCCN)c2c(OC)c1OC
InChIInChI=1S/C14H20N2O3/c1-17-11-7-10-12(14(19-3)13(11)18-2)9(8-16-10)5-4-6-15/h7-8,16H,4-6,15H2,1-3H3
InChIKeyVDRNAZAEWLTULI-UHFFFAOYSA-N
XLogP2.09
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211220
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113084605
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
CID 113084619
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113084647
N-(4-ethylphenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211295
N-(3-acetamidophenyl)-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211325
3-(4-ethoxy-1H-indol-3-yl)propan-1-amine
CID 83917405
5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
CID 96598611
2-(4-chloro-5-methoxy-1H-indol-3-yl)ethanamine
CID 23373069
(5-bromo-6-methoxy-1H-indol-3-yl)methanamine
CID 83901054
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787

Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine (CID 83968694) is 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine is COc1cc2[nH]cc(CCCN)c2c(OC)c1OC.
What is the InChIKey of 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine?
The InChIKey is VDRNAZAEWLTULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-17-11-7-10-12(14(19-3)13(11)18-2)9(8-16-10)5-4-6-15/h7-8,16H,4-6,15H2,1-3H3.
What are the key properties of 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine?
3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6-trimethoxy-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83968694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).