1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol

C12H19NO2 — CID 107230534

IUPAC1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1cccc(CO)c1
InChIInChI=1S/C12H19NO2/c1-12(2,15)9-13-7-10-4-3-5-11(6-10)8-14/h3-6,13-15H,7-9H2,1-2H3
InChIKeyIHXWWGZNOJBALV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.04
Rot. Bonds5

About 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol

1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol (PubChem CID 107230534) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol
PubChem CID107230534
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1cccc(CO)c1
InChIInChI=1S/C12H19NO2/c1-12(2,15)9-13-7-10-4-3-5-11(6-10)8-14/h3-6,13-15H,7-9H2,1-2H3
InChIKeyIHXWWGZNOJBALV-UHFFFAOYSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
1-[(3,5-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 63932078
[3-[[(4-iodophenyl)methylamino]methyl]phenyl]methanol
CID 107230485
3-[(2,2-dimethylpropylamino)methyl]phenol
CID 61168386
1-[(3-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106816878
[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572
1-[(4-chlorophenyl)methylamino]-2-methylpropan-2-ol
CID 60885282
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
3-[[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenoxy]methyl]benzonitrile
CID 119128637

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol (CID 107230534) is 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol is CC(C)(O)CNCc1cccc(CO)c1.
What is the InChIKey of 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol?
The InChIKey is IHXWWGZNOJBALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,15)9-13-7-10-4-3-5-11(6-10)8-14/h3-6,13-15H,7-9H2,1-2H3.
What are the key properties of 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol?
1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 107230534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).