1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol

C12H19NO4 — CID 112518377

IUPAC1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
SMILESCOc1cc(OC)c(OC)cc1CC(O)CN
InChIInChI=1S/C12H19NO4/c1-15-10-6-12(17-3)11(16-2)5-8(10)4-9(14)7-13/h5-6,9,14H,4,7,13H2,1-3H3
InChIKeyZFHDTIVBCLEKFF-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.57
Rot. Bonds6

About 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol

1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol (PubChem CID 112518377) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
PubChem CID112518377
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol
SMILESCOc1cc(OC)c(OC)cc1CC(O)CN
InChIInChI=1S/C12H19NO4/c1-15-10-6-12(17-3)11(16-2)5-8(10)4-9(14)7-13/h5-6,9,14H,4,7,13H2,1-3H3
InChIKeyZFHDTIVBCLEKFF-UHFFFAOYSA-N
XLogP0.57
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.57
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
1-amino-3-(2-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 116859156
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
1,1,1-trifluoro-3-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 132588692
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
2-(4-fluorophenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83973785
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide
CID 116848669
1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
CID 82397890
2-amino-1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117355259

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol (CID 112518377) is 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol is COc1cc(OC)c(OC)cc1CC(O)CN.
What is the InChIKey of 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol?
The InChIKey is ZFHDTIVBCLEKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-10-6-12(17-3)11(16-2)5-8(10)4-9(14)7-13/h5-6,9,14H,4,7,13H2,1-3H3.
What are the key properties of 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol?
1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol has a molecular weight of 241.29 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,4,5-trimethoxyphenyl)propan-2-ol is sourced from PubChem (CID 112518377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).