3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol

C11H17NO2 — CID 28725427

IUPAC3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
SMILESCC(C)(CO)NCc1cccc(O)c1
InChIInChI=1S/C11H17NO2/c1-11(2,8-13)12-7-9-4-3-5-10(14)6-9/h3-6,12-14H,7-8H2,1-2H3
InChIKeyYBLAXEPVGSWDQL-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.25
Rot. Bonds4

About 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol

3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol (PubChem CID 28725427) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
PubChem CID28725427
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
SMILESCC(C)(CO)NCc1cccc(O)c1
InChIInChI=1S/C11H17NO2/c1-11(2,8-13)12-7-9-4-3-5-10(14)6-9/h3-6,12-14H,7-8H2,1-2H3
InChIKeyYBLAXEPVGSWDQL-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methylamino]-2-methylpropan-1-ol
CID 4715466
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzene-1,2-diol
CID 28724969
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715475
3-[[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]methyl]benzonitrile
CID 111112632
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17157143
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 75355894
2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 63050676
3-(propylaminomethyl)phenol
CID 10725714
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol?
The IUPAC name of 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol (CID 28725427) is 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol is CC(C)(CO)NCc1cccc(O)c1.
What is the InChIKey of 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol?
The InChIKey is YBLAXEPVGSWDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,8-13)12-7-9-4-3-5-10(14)6-9/h3-6,12-14H,7-8H2,1-2H3.
What are the key properties of 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol?
3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 28725427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).