(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol

C12H19NO4 — CID 97180181

IUPAC(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CN)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-15-11-4-3-9(12(5-11)16-2)7-17-8-10(14)6-13/h3-5,10,14H,6-8,13H2,1-2H3/t10-/m1/s1
InChIKeyQUUUPVKROJEBTQ-SNVBAGLBSA-N
MW241.29 g/mol
LogP0.54
Rot. Bonds7

About (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol

(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol (PubChem CID 97180181) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol
PubChem CID97180181
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CN)c(OC)c1
InChIInChI=1S/C12H19NO4/c1-15-11-4-3-9(12(5-11)16-2)7-17-8-10(14)6-13/h3-5,10,14H,6-8,13H2,1-2H3/t10-/m1/s1
InChIKeyQUUUPVKROJEBTQ-SNVBAGLBSA-N
XLogP0.54
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-[(2,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 102548264
(2S)-1-amino-3-[(2,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 97180192
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 115121489
1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
CID 63931950
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988558
bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
CID 69443369
(2S)-1-(azepan-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588345
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
4-(2,4-dimethoxyphenyl)but-2-yn-1-amine
CID 91200946
1-[2-(aminomethyl)-5-methoxyphenoxy]-3-propan-2-yloxypropan-2-ol
CID 63987369

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol (CID 97180181) is (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol is COc1ccc(COC[C@H](O)CN)c(OC)c1.
What is the InChIKey of (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol?
The InChIKey is QUUUPVKROJEBTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-11-4-3-9(12(5-11)16-2)7-17-8-10(14)6-13/h3-5,10,14H,6-8,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol?
(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol has a molecular weight of 241.29 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 97180181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).