(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol

C12H19NO2 — CID 96774274

IUPAC(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
SMILESCOc1c(C)cc([C@H](O)CCN)cc1C
InChIInChI=1S/C12H19NO2/c1-8-6-10(11(14)4-5-13)7-9(2)12(8)15-3/h6-7,11,14H,4-5,13H2,1-3H3/t11-/m1/s1
InChIKeyHIYSQQLWSHTBRS-LLVKDONJSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds4

About (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol

(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol (PubChem CID 96774274) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
PubChem CID96774274
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
SMILESCOc1c(C)cc([C@H](O)CCN)cc1C
InChIInChI=1S/C12H19NO2/c1-8-6-10(11(14)4-5-13)7-9(2)12(8)15-3/h6-7,11,14H,4-5,13H2,1-3H3/t11-/m1/s1
InChIKeyHIYSQQLWSHTBRS-LLVKDONJSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)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

(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol
CID 112518901
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
CID 116830247
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
3-amino-1-(3-chloro-2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 84704189
(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 171231243
(1R)-3-amino-1-(3-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 90212502
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 116836231
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 116905197

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol (CID 96774274) is (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol is COc1c(C)cc([C@H](O)CCN)cc1C.
What is the InChIKey of (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol?
The InChIKey is HIYSQQLWSHTBRS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-10(11(14)4-5-13)7-9(2)12(8)15-3/h6-7,11,14H,4-5,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol?
(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 96774274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).