3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol

C12H19NO3 — CID 78907088

IUPAC3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
SMILESCOc1cccc(CN(C)CC(O)CO)c1
InChIInChI=1S/C12H19NO3/c1-13(8-11(15)9-14)7-10-4-3-5-12(6-10)16-2/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeyUWWHLPQLJKFSAF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.48
Rot. Bonds6

About 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol

3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol (PubChem CID 78907088) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
PubChem CID78907088
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
SMILESCOc1cccc(CN(C)CC(O)CO)c1
InChIInChI=1S/C12H19NO3/c1-13(8-11(15)9-14)7-10-4-3-5-12(6-10)16-2/h3-6,11,14-15H,7-9H2,1-2H3
InChIKeyUWWHLPQLJKFSAF-UHFFFAOYSA-N
XLogP0.48
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 95357888
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 3891436
1-N-[(3-methoxyphenyl)methyl]-1-N,2-N-dimethylpentane-1,2-diamine
CID 62042937
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-[(2-chloro-4-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122219
3-[[2,3-dihydroxypropyl(methyl)amino]methyl]benzenecarbothioamide
CID 82850304
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
ethyl 4-[(2S)-2-hydroxy-3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzoate
CID 41119766
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 55055189

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol (CID 78907088) is 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol is COc1cccc(CN(C)CC(O)CO)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol?
The InChIKey is UWWHLPQLJKFSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(8-11(15)9-14)7-10-4-3-5-12(6-10)16-2/h3-6,11,14-15H,7-9H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol?
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol has a molecular weight of 225.29 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 78907088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).