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

C12H19NO4 — CID 97051483

IUPAC(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](O)CCN)c(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-15-10-5-4-8(9(14)6-7-13)11(16-2)12(10)17-3/h4-5,9,14H,6-7,13H2,1-3H3/t9-/m1/s1
InChIKeyFFTADSCFDSVWNQ-SECBINFHSA-N
MW241.29 g/mol
LogP1.09
Rot. Bonds6

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

(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol (PubChem CID 97051483) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
PubChem CID97051483
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
SMILESCOc1ccc([C@H](O)CCN)c(OC)c1OC
InChIInChI=1S/C12H19NO4/c1-15-10-5-4-8(9(14)6-7-13)11(16-2)12(10)17-3/h4-5,9,14H,6-7,13H2,1-3H3/t9-/m1/s1
InChIKeyFFTADSCFDSVWNQ-SECBINFHSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol
CID 103028273
4-methylsulfonyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65148516
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565
3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
CID 84680912
3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83934065
(1R,3R)-3-amino-4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol;hydrochloride
CID 171237731
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65185942
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol?
The IUPAC name of (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol (CID 97051483) is (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol is COc1ccc([C@H](O)CCN)c(OC)c1OC.
What is the InChIKey of (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol?
The InChIKey is FFTADSCFDSVWNQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO4/c1-15-10-5-4-8(9(14)6-7-13)11(16-2)12(10)17-3/h4-5,9,14H,6-7,13H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol?
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol has a molecular weight of 241.29 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 97051483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).