3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol

C12H19NO2 — CID 65337723

IUPAC3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol
SMILESCC(Nc1ccccc1CO)C(C)(C)O
InChIInChI=1S/C12H19NO2/c1-9(12(2,3)15)13-11-7-5-4-6-10(11)8-14/h4-7,9,13-15H,8H2,1-3H3
InChIKeyUIOBHDMWRHYLOU-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol

3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol (PubChem CID 65337723) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol
PubChem CID65337723
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol
SMILESCC(Nc1ccccc1CO)C(C)(C)O
InChIInChI=1S/C12H19NO2/c1-9(12(2,3)15)13-11-7-5-4-6-10(11)8-14/h4-7,9,13-15H,8H2,1-3H3
InChIKeyUIOBHDMWRHYLOU-UHFFFAOYSA-N
XLogP1.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromoanilino)-2-methylbutan-2-ol
CID 65332677
tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
CID 107242385
[2-[[(2S,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275522
[2-[[(2R,3R)-3-methylpentan-2-yl]amino]phenyl]methanol
CID 93275520
[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol
CID 103935860
[2-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 43743253
[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
[2-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007205
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067
ethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoate
CID 65333022
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol?
The IUPAC name of 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol (CID 65337723) is 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol is CC(Nc1ccccc1CO)C(C)(C)O.
What is the InChIKey of 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol?
The InChIKey is UIOBHDMWRHYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(12(2,3)15)13-11-7-5-4-6-10(11)8-14/h4-7,9,13-15H,8H2,1-3H3.
What are the key properties of 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol?
3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).