1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol

C13H18N2O — CID 116859440

IUPAC1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
SMILESCNC(c1cn(C)c2ccccc12)C(C)O
InChIInChI=1S/C13H18N2O/c1-9(16)13(14-2)11-8-15(3)12-7-5-4-6-10(11)12/h4-9,13-14,16H,1-3H3
InChIKeyWWABCAGVIUPFSZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.82
Rot. Bonds3

About 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol

1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol (PubChem CID 116859440) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
PubChem CID116859440
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol
SMILESCNC(c1cn(C)c2ccccc12)C(C)O
InChIInChI=1S/C13H18N2O/c1-9(16)13(14-2)11-8-15(3)12-7-5-4-6-10(11)12/h4-9,13-14,16H,1-3H3
InChIKeyWWABCAGVIUPFSZ-UHFFFAOYSA-N
XLogP1.82
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol?
The IUPAC name of 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol (CID 116859440) is 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol is CNC(c1cn(C)c2ccccc12)C(C)O.
What is the InChIKey of 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol?
The InChIKey is WWABCAGVIUPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(16)13(14-2)11-8-15(3)12-7-5-4-6-10(11)12/h4-9,13-14,16H,1-3H3.
What are the key properties of 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol?
1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-(1-methylindol-3-yl)propan-2-ol is sourced from PubChem (CID 116859440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).