1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol

C14H16N2O — CID 3035581

IUPAC1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol
SMILESC#CCN(C)Cc1cc2cc(O)ccc2n1C
InChIInChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3
InChIKeyHFMZYVHURLNZFT-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.95
Rot. Bonds3

About 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol

1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol (PubChem CID 3035581) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol.

Molecular Properties

Compound Name1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol
PubChem CID3035581
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol
SMILESC#CCN(C)Cc1cc2cc(O)ccc2n1C
InChIInChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3
InChIKeyHFMZYVHURLNZFT-UHFFFAOYSA-N
XLogP1.95
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol?
The IUPAC name of 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol (CID 3035581) is 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol.
What is the SMILES notation for 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol?
The canonical SMILES for 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol is C#CCN(C)Cc1cc2cc(O)ccc2n1C.
What is the InChIKey of 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol?
The InChIKey is HFMZYVHURLNZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3.
What are the key properties of 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol?
1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol has a molecular weight of 228.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-ol is sourced from PubChem (CID 3035581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).