[5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine

C16H23N3O — CID 117436417

IUPAC[5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc2cc(C)[nH]c2cc1C1CC(CN)CN1C
InChIInChI=1S/C16H23N3O/c1-10-4-12-6-16(20-3)13(7-14(12)18-10)15-5-11(8-17)9-19(15)2/h4,6-7,11,15,18H,5,8-9,17H2,1-3H3
InChIKeyMAQCXAAZDQKADW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.44
Rot. Bonds3

About [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117436417) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117436417
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc2cc(C)[nH]c2cc1C1CC(CN)CN1C
InChIInChI=1S/C16H23N3O/c1-10-4-12-6-16(20-3)13(7-14(12)18-10)15-5-11(8-17)9-19(15)2/h4,6-7,11,15,18H,5,8-9,17H2,1-3H3
InChIKeyMAQCXAAZDQKADW-UHFFFAOYSA-N
XLogP2.44
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117436417) is [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine is COc1cc2cc(C)[nH]c2cc1C1CC(CN)CN1C.
What is the InChIKey of [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is MAQCXAAZDQKADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-4-12-6-16(20-3)13(7-14(12)18-10)15-5-11(8-17)9-19(15)2/h4,6-7,11,15,18H,5,8-9,17H2,1-3H3.
What are the key properties of [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methoxy-2-methyl-1H-indol-6-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117436417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).