(1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride

C11H18ClNO3 — CID 57333099

IUPAC(1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(OC)c([C@@H](O)[C@H](C)N)c1.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H/t7-,11-;/m0./s1
InChIKeyYGRFXPCHZBRUKP-WJRQTEJMSA-N
MW247.72 g/mol
LogP1.51
Rot. Bonds4

About (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride

(1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 57333099) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride
PubChem CID57333099
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name(1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc(OC)c([C@@H](O)[C@H](C)N)c1.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H/t7-,11-;/m0./s1
InChIKeyYGRFXPCHZBRUKP-WJRQTEJMSA-N
XLogP1.51
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride (CID 57333099) is (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride is COc1ccc(OC)c([C@@H](O)[C@H](C)N)c1.Cl.
What is the InChIKey of (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is YGRFXPCHZBRUKP-WJRQTEJMSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H/t7-,11-;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride?
(1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 57333099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).