1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol

C13H20BrNO2 — CID 82970441

IUPAC1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol
SMILESCC(O)c1cc(Br)ccc1N(C)CC(C)(C)O
InChIInChI=1S/C13H20BrNO2/c1-9(16)11-7-10(14)5-6-12(11)15(4)8-13(2,3)17/h5-7,9,16-17H,8H2,1-4H3
InChIKeyOIAMVWKKOQAYDM-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.71
Rot. Bonds4

About 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol

1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol (PubChem CID 82970441) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol
PubChem CID82970441
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol
SMILESCC(O)c1cc(Br)ccc1N(C)CC(C)(C)O
InChIInChI=1S/C13H20BrNO2/c1-9(16)11-7-10(14)5-6-12(11)15(4)8-13(2,3)17/h5-7,9,16-17H,8H2,1-4H3
InChIKeyOIAMVWKKOQAYDM-UHFFFAOYSA-N
XLogP2.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79386807
1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 79390821
1-[5-bromo-2-[(3-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 82970103
3-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]butanenitrile
CID 82970578
2-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-N-(2-methoxyethyl)acetamide
CID 82970493
1-[5-bromo-2-[ethyl(prop-2-ynyl)amino]phenyl]ethanol
CID 82970518
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
(1R)-1-[3-bromo-4-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanol
CID 63372756
3-[4-bromo-N-methyl-2-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 114230292
1-[4-bromo-2-[(4-bromothiophen-2-yl)methyl-methylamino]phenyl]ethanol
CID 82969604
1-[3-bromo-4-[(2-hydroxy-2-methylpropyl)-methylamino]phenyl]ethanone
CID 79387300
1-[5-bromo-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanol
CID 82970659

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol (CID 82970441) is 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol is CC(O)c1cc(Br)ccc1N(C)CC(C)(C)O.
What is the InChIKey of 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol?
The InChIKey is OIAMVWKKOQAYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-9(16)11-7-10(14)5-6-12(11)15(4)8-13(2,3)17/h5-7,9,16-17H,8H2,1-4H3.
What are the key properties of 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol?
1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol has a molecular weight of 302.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 82970441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).