1-methyl-2-[3-(methylamino)propyl]indol-5-ol

C13H18N2O — CID 117195354

IUPAC1-methyl-2-[3-(methylamino)propyl]indol-5-ol
SMILESCNCCCc1cc2cc(O)ccc2n1C
InChIInChI=1S/C13H18N2O/c1-14-7-3-4-11-8-10-9-12(16)5-6-13(10)15(11)2/h5-6,8-9,14,16H,3-4,7H2,1-2H3
InChIKeyXNFVDVSLYBSWNQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.04
Rot. Bonds4

About 1-methyl-2-[3-(methylamino)propyl]indol-5-ol

1-methyl-2-[3-(methylamino)propyl]indol-5-ol (PubChem CID 117195354) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methyl-2-[3-(methylamino)propyl]indol-5-ol.

Molecular Properties

Compound Name1-methyl-2-[3-(methylamino)propyl]indol-5-ol
PubChem CID117195354
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-methyl-2-[3-(methylamino)propyl]indol-5-ol
SMILESCNCCCc1cc2cc(O)ccc2n1C
InChIInChI=1S/C13H18N2O/c1-14-7-3-4-11-8-10-9-12(16)5-6-13(10)15(11)2/h5-6,8-9,14,16H,3-4,7H2,1-2H3
InChIKeyXNFVDVSLYBSWNQ-UHFFFAOYSA-N
XLogP2.04
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(methylamino)propyl]indol-5-ol?
The IUPAC name of 1-methyl-2-[3-(methylamino)propyl]indol-5-ol (CID 117195354) is 1-methyl-2-[3-(methylamino)propyl]indol-5-ol.
What is the SMILES notation for 1-methyl-2-[3-(methylamino)propyl]indol-5-ol?
The canonical SMILES for 1-methyl-2-[3-(methylamino)propyl]indol-5-ol is CNCCCc1cc2cc(O)ccc2n1C.
What is the InChIKey of 1-methyl-2-[3-(methylamino)propyl]indol-5-ol?
The InChIKey is XNFVDVSLYBSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-14-7-3-4-11-8-10-9-12(16)5-6-13(10)15(11)2/h5-6,8-9,14,16H,3-4,7H2,1-2H3.
What are the key properties of 1-methyl-2-[3-(methylamino)propyl]indol-5-ol?
1-methyl-2-[3-(methylamino)propyl]indol-5-ol has a molecular weight of 218.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(methylamino)propyl]indol-5-ol is sourced from PubChem (CID 117195354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).