2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol

C13H19NO — CID 117294166

IUPAC2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol
SMILESCN1CCc2ccc(C(C)(C)CO)cc21
InChIInChI=1S/C13H19NO/c1-13(2,9-15)11-5-4-10-6-7-14(3)12(10)8-11/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyZWOAJKRPAIVDSS-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.95
Rot. Bonds2

About 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol

2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol (PubChem CID 117294166) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol
PubChem CID117294166
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol
SMILESCN1CCc2ccc(C(C)(C)CO)cc21
InChIInChI=1S/C13H19NO/c1-13(2,9-15)11-5-4-10-6-7-14(3)12(10)8-11/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyZWOAJKRPAIVDSS-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol?
The IUPAC name of 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol (CID 117294166) is 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol is CN1CCc2ccc(C(C)(C)CO)cc21.
What is the InChIKey of 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol?
The InChIKey is ZWOAJKRPAIVDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,9-15)11-5-4-10-6-7-14(3)12(10)8-11/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol?
2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol is sourced from PubChem (CID 117294166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).