1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine

C18H20N2O2 — CID 792077

IUPAC1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine
SMILESCOc1cc(CNCc2c[nH]c3ccccc23)cc(OC)c1
InChIInChI=1S/C18H20N2O2/c1-21-15-7-13(8-16(9-15)22-2)10-19-11-14-12-20-18-6-4-3-5-17(14)18/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyIJQBHXLFMUPLIO-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.47
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine

1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine (PubChem CID 792077) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine
PubChem CID792077
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine
SMILESCOc1cc(CNCc2c[nH]c3ccccc23)cc(OC)c1
InChIInChI=1S/C18H20N2O2/c1-21-15-7-13(8-16(9-15)22-2)10-19-11-14-12-20-18-6-4-3-5-17(14)18/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyIJQBHXLFMUPLIO-UHFFFAOYSA-N
XLogP3.47
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine (CID 792077) is 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine is COc1cc(CNCc2c[nH]c3ccccc23)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine?
The InChIKey is IJQBHXLFMUPLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-21-15-7-13(8-16(9-15)22-2)10-19-11-14-12-20-18-6-4-3-5-17(14)18/h3-9,12,19-20H,10-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine?
1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine has a molecular weight of 296.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-(1H-indol-3-ylmethyl)methanamine is sourced from PubChem (CID 792077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).