3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol

C12H19NO2 — CID 82850825

IUPAC3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
SMILESCc1cccc(CN(C)CC(O)CO)c1
InChIInChI=1S/C12H19NO2/c1-10-4-3-5-11(6-10)7-13(2)8-12(15)9-14/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyVOUGFMIVDXGJCL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.78
Rot. Bonds5

About 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol

3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol (PubChem CID 82850825) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
PubChem CID82850825
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
SMILESCc1cccc(CN(C)CC(O)CO)c1
InChIInChI=1S/C12H19NO2/c1-10-4-3-5-11(6-10)7-13(2)8-12(15)9-14/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyVOUGFMIVDXGJCL-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
4-hydroxy-5-[methyl-[(3-methylphenyl)methyl]amino]pentanoic acid
CID 115122741
3-[[2,3-dihydroxypropyl(methyl)amino]methyl]benzenecarbothioamide
CID 82850304
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]ethanol
CID 71497976
1-[2-hydroxypropyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 4662474
2-(bromomethyl)-N,3-dimethyl-N-[(3-methylphenyl)methyl]butan-1-amine
CID 65011843
1-N,2-dimethyl-1-N-[(3-methylphenyl)methyl]heptane-1,6-diamine
CID 65296439
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864
2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 62266896
2-bromo-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 80691818
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol?
The IUPAC name of 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol (CID 82850825) is 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol is Cc1cccc(CN(C)CC(O)CO)c1.
What is the InChIKey of 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol?
The InChIKey is VOUGFMIVDXGJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-4-3-5-11(6-10)7-13(2)8-12(15)9-14/h3-6,12,14-15H,7-9H2,1-2H3.
What are the key properties of 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol?
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol has a molecular weight of 209.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol is sourced from PubChem (CID 82850825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).