(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol

C12H19NO4 — CID 96915436

IUPAC(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
SMILESCOc1cccc(CNC[C@@H](O)CO)c1OC
InChIInChI=1S/C12H19NO4/c1-16-11-5-3-4-9(12(11)17-2)6-13-7-10(15)8-14/h3-5,10,13-15H,6-8H2,1-2H3/t10-/m1/s1
InChIKeyPRTUSLHUOYAGQD-SNVBAGLBSA-N
MW241.29 g/mol
LogP0.15
Rot. Bonds7

About (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol

(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol (PubChem CID 96915436) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
PubChem CID96915436
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
SMILESCOc1cccc(CNC[C@@H](O)CO)c1OC
InChIInChI=1S/C12H19NO4/c1-16-11-5-3-4-9(12(11)17-2)6-13-7-10(15)8-14/h3-5,10,13-15H,6-8H2,1-2H3/t10-/m1/s1
InChIKeyPRTUSLHUOYAGQD-SNVBAGLBSA-N
XLogP0.15
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N-[(2,3-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 10612980
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
CID 59317356
CID 59317356
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol?
The IUPAC name of (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol (CID 96915436) is (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol is COc1cccc(CNC[C@@H](O)CO)c1OC.
What is the InChIKey of (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol?
The InChIKey is PRTUSLHUOYAGQD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO4/c1-16-11-5-3-4-9(12(11)17-2)6-13-7-10(15)8-14/h3-5,10,13-15H,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol?
(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol has a molecular weight of 241.29 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol is sourced from PubChem (CID 96915436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).