1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol

C12H18BrNO — CID 114493488

IUPAC1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(C)ccc1Br
InChIInChI=1S/C12H18BrNO/c1-4-12(3,15)8-14-11-7-9(2)5-6-10(11)13/h5-7,14-15H,4,8H2,1-3H3
InChIKeyBPYRHPCJCTWMOA-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol

1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol (PubChem CID 114493488) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
PubChem CID114493488
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(C)ccc1Br
InChIInChI=1S/C12H18BrNO/c1-4-12(3,15)8-14-11-7-9(2)5-6-10(11)13/h5-7,14-15H,4,8H2,1-3H3
InChIKeyBPYRHPCJCTWMOA-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylanilino)-2-methylbutan-2-ol
CID 114492467
1-N-(2-bromo-5-methylphenyl)-2-methylpropane-1,2-diamine
CID 126984180
2-bromo-5-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82757110
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728
2-methyl-1-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 65110504
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol (CID 114493488) is 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol is CCC(C)(O)CNc1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol?
The InChIKey is BPYRHPCJCTWMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-4-12(3,15)8-14-11-7-9(2)5-6-10(11)13/h5-7,14-15H,4,8H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol?
1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol has a molecular weight of 272.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 114493488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).