(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

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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).