3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol

C14H18BrNO — CID 149374559

IUPAC3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol
SMILESCc1cc2ccc(Br)cc2n1CC(C)(C)CO
InChIInChI=1S/C14H18BrNO/c1-10-6-11-4-5-12(15)7-13(11)16(10)8-14(2,3)9-17/h4-7,17H,8-9H2,1-3H3
InChIKeyYKMCBMDACFLIMY-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.73
Rot. Bonds3

About 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol

3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 149374559) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID149374559
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol
SMILESCc1cc2ccc(Br)cc2n1CC(C)(C)CO
InChIInChI=1S/C14H18BrNO/c1-10-6-11-4-5-12(15)7-13(11)16(10)8-14(2,3)9-17/h4-7,17H,8-9H2,1-3H3
InChIKeyYKMCBMDACFLIMY-UHFFFAOYSA-N
XLogP3.73
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
3-[6-bromo-3-(2-trimethylsilylethynyl)indazol-1-yl]-2,2-dimethylpropan-1-ol
CID 151151907
6-bromo-1-[(4-tert-butylphenyl)methyl]indole-2-carboxylic acid
CID 127048631
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
2-(1-ethyl-2-methylindol-6-yl)ethanol
CID 117204795
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
6-bromo-1-[3-[6-bromo-1-(3-hydroxy-2,2-dimethylpropyl)indol-3-yl]oxy-2,2-dimethylpropyl]-N-methylindole-3-carboxamide
CID 154957731
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117
6-bromo-3-(3-hydroxy-2,2-dimethylpropyl)quinazolin-4-one
CID 71000936
2-(6-bromo-2-methylbenzimidazol-1-yl)ethanol
CID 170642856
6-bromo-2-tert-butylindole-1-carboxylic acid
CID 53406128
2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid
CID 115072292

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol (CID 149374559) is 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol is Cc1cc2ccc(Br)cc2n1CC(C)(C)CO.
What is the InChIKey of 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is YKMCBMDACFLIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-6-11-4-5-12(15)7-13(11)16(10)8-14(2,3)9-17/h4-7,17H,8-9H2,1-3H3.
What are the key properties of 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol?
3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 296.21 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-methylindol-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 149374559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).