3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol

C13H20BrNO — CID 107572119

IUPAC3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol
SMILESCc1cc(NC(C)C(C)(C)O)cc(C)c1Br
InChIInChI=1S/C13H20BrNO/c1-8-6-11(7-9(2)12(8)14)15-10(3)13(4,5)16/h6-7,10,15-16H,1-5H3
InChIKeyXTQFWGKUBCXYFV-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.64
Rot. Bonds3

About 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol

3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol (PubChem CID 107572119) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol
PubChem CID107572119
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol
SMILESCc1cc(NC(C)C(C)(C)O)cc(C)c1Br
InChIInChI=1S/C13H20BrNO/c1-8-6-11(7-9(2)12(8)14)15-10(3)13(4,5)16/h6-7,10,15-16H,1-5H3
InChIKeyXTQFWGKUBCXYFV-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2,6-dimethylanilino)-2-methylbutan-2-ol
CID 65337462
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol
CID 107700569
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029
3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174
4-bromo-N-[1-(4-bromophenyl)ethyl]-3,5-dimethylaniline
CID 107572230
3-(4-bromo-3,5-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 107571895
3-(2-bromoanilino)-2-methylbutan-2-ol
CID 65332677
2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
CID 107573469
3-(5-bromo-2-chloroanilino)-2-methylbutan-2-ol
CID 65338217
3-(4-bromo-3,5-dimethylanilino)-2-methylpropanenitrile
CID 107573585
(2S)-2-amino-N-(4-bromo-3,5-dimethylphenyl)propanamide
CID 107574322
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol?
The IUPAC name of 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol (CID 107572119) is 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol?
The canonical SMILES for 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol is Cc1cc(NC(C)C(C)(C)O)cc(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol?
The InChIKey is XTQFWGKUBCXYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-8-6-11(7-9(2)12(8)14)15-10(3)13(4,5)16/h6-7,10,15-16H,1-5H3.
What are the key properties of 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol?
3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol has a molecular weight of 286.21 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 107572119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).