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

C12H19NO2 — CID 107230392

IUPAC3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cccc(CO)c1
InChIInChI=1S/C12H19NO2/c1-10(8-14)6-13-7-11-3-2-4-12(5-11)9-15/h2-5,10,13-15H,6-9H2,1H3
InChIKeyOUTPRUJXYGUDGO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.90
Rot. Bonds6

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

3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol (PubChem CID 107230392) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
PubChem CID107230392
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cccc(CO)c1
InChIInChI=1S/C12H19NO2/c1-10(8-14)6-13-7-11-3-2-4-12(5-11)9-15/h2-5,10,13-15H,6-9H2,1H3
InChIKeyOUTPRUJXYGUDGO-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanenitrile
CID 107230612
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide
CID 107230401
methyl 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanoate
CID 107230736
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
[3-[(butan-2-ylamino)methyl]phenyl]methanol
CID 115717741
1-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 107230534
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
CID 107230540
[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
CID 107230378
propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate
CID 107230734
3-(1,3-benzodioxol-5-ylmethylamino)-2-methylpropan-1-ol
CID 65034367

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol (CID 107230392) is 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol is CC(CO)CNCc1cccc(CO)c1.
What is the InChIKey of 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol?
The InChIKey is OUTPRUJXYGUDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(8-14)6-13-7-11-3-2-4-12(5-11)9-15/h2-5,10,13-15H,6-9H2,1H3.
What are the key properties of 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol?
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 107230392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).