1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol

C12H19NO2 — CID 110009104

IUPAC1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(CO)cc1
InChIInChI=1S/C12H19NO2/c1-10(15)7-13(2)8-11-3-5-12(9-14)6-4-11/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyBLAAWFDJMIWVDE-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.99
Rot. Bonds5

About 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol

1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol (PubChem CID 110009104) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
PubChem CID110009104
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1ccc(CO)cc1
InChIInChI=1S/C12H19NO2/c1-10(15)7-13(2)8-11-3-5-12(9-14)6-4-11/h3-6,10,14-15H,7-9H2,1-2H3
InChIKeyBLAAWFDJMIWVDE-UHFFFAOYSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 62335072
4-[4-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]phenyl]-2-methylbutan-2-ol
CID 95893669
[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
CID 112631162
(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 106932749
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954
(2S)-1-[(4-hexoxyphenyl)methyl-methylamino]propan-2-ol
CID 99783620
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
1-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]propan-2-ol
CID 62337350
3-[methyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]propane-1,2-diol
CID 115122230
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
CID 112631179
[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
CID 112631174

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol (CID 110009104) is 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1ccc(CO)cc1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol?
The InChIKey is BLAAWFDJMIWVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(15)7-13(2)8-11-3-5-12(9-14)6-4-11/h3-6,10,14-15H,7-9H2,1-2H3.
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol?
1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 110009104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).