1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol

C14H19NO — CID 117204407

IUPAC1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol
SMILESCc1cn(C)c2cccc(CC(C)(C)O)c12
InChIInChI=1S/C14H19NO/c1-10-9-15(4)12-7-5-6-11(13(10)12)8-14(2,3)16/h5-7,9,16H,8H2,1-4H3
InChIKeyGTTJPYAOMSBDQH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.80
Rot. Bonds2

About 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol

1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol (PubChem CID 117204407) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol
PubChem CID117204407
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol
SMILESCc1cn(C)c2cccc(CC(C)(C)O)c12
InChIInChI=1S/C14H19NO/c1-10-9-15(4)12-7-5-6-11(13(10)12)8-14(2,3)16/h5-7,9,16H,8H2,1-4H3
InChIKeyGTTJPYAOMSBDQH-UHFFFAOYSA-N
XLogP2.80
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dimethylindol-4-yl)-N-methylmethanamine
CID 117204432
2-(1,3-dimethylindol-4-yl)propan-2-ol
CID 15852030
2-(1,3-dimethylindol-4-yl)-N-methylethanamine
CID 117204456
3-(2-hydroxy-2-methylpropyl)-2-methylphenol
CID 154515980
2-methyl-1-(1-methylindol-7-yl)propan-2-ol
CID 115115003
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
1-(1,3-dimethylindol-5-yl)-2-methylpropan-2-ol
CID 117204696
1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
CID 117119655
1-(5-fluoro-1-methylindol-3-yl)-2-methylpropan-2-ol
CID 117121023
1,4-dimethylindol-3-amine
CID 89174209
2-methyl-1-(4-methyl-1H-indol-3-yl)propan-2-ol
CID 117194759
1,3-dimethyl-4-piperidin-1-ylindole
CID 126583344

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol (CID 117204407) is 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol is Cc1cn(C)c2cccc(CC(C)(C)O)c12.
What is the InChIKey of 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol?
The InChIKey is GTTJPYAOMSBDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-9-15(4)12-7-5-6-11(13(10)12)8-14(2,3)16/h5-7,9,16H,8H2,1-4H3.
What are the key properties of 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol?
1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylindol-4-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117204407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).