(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride

C11H18ClNO3 — CID 171261396

IUPAC(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1cccc(OC)c1[C@@H](N)[C@H](C)O.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-7(13)11(12)10-8(14-2)5-4-6-9(10)15-3;/h4-7,11,13H,12H2,1-3H3;1H/t7-,11-;/m0./s1
InChIKeyNZVOTCNSXCJEJD-WJRQTEJMSA-N
MW247.72 g/mol
LogP1.51
Rot. Bonds4

About (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride (PubChem CID 171261396) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
PubChem CID171261396
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1cccc(OC)c1[C@@H](N)[C@H](C)O.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-7(13)11(12)10-8(14-2)5-4-6-9(10)15-3;/h4-7,11,13H,12H2,1-3H3;1H/t7-,11-;/m0./s1
InChIKeyNZVOTCNSXCJEJD-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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Related Compounds

(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171261410
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
2-amino-1-[2-(difluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 84694392
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171267104
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]-3-methoxyphenol;hydrochloride
CID 171271799
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261422

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride (CID 171261396) is (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride is COc1cccc(OC)c1[C@@H](N)[C@H](C)O.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride?
The InChIKey is NZVOTCNSXCJEJD-WJRQTEJMSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-7(13)11(12)10-8(14-2)5-4-6-9(10)15-3;/h4-7,11,13H,12H2,1-3H3;1H/t7-,11-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-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)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171261396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).