(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride

C17H22ClNO3 — CID 171261422

IUPAC(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCOc1cccc(OC)c1[C@@H](N)[C@@H](O)Cc1ccccc1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-20-14-9-6-10-15(21-2)16(14)17(18)13(19)11-12-7-4-3-5-8-12;/h3-10,13,17,19H,11,18H2,1-2H3;1H/t13-,17-;/m0./s1
InChIKeyWEJUXYBARFUUQA-KYLFUZKPSA-N
MW323.82 g/mol
LogP2.73
Rot. Bonds6

About (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171261422) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171261422
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCOc1cccc(OC)c1[C@@H](N)[C@@H](O)Cc1ccccc1.Cl
InChIInChI=1S/C17H21NO3.ClH/c1-20-14-9-6-10-15(21-2)16(14)17(18)13(19)11-12-7-4-3-5-8-12;/h3-10,13,17,19H,11,18H2,1-2H3;1H/t13-,17-;/m0./s1
InChIKeyWEJUXYBARFUUQA-KYLFUZKPSA-N
XLogP2.73
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
CID 171267050
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263085
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-6-methoxyphenol;hydrochloride
CID 171270288
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)butan-2-ol
CID 171267082
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol
CID 171263112
(1R,2S)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260969
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171266887
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
(1S,2R)-1-amino-1-(2,6-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171267104
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
CID 171264227

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride (CID 171261422) is (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride is COc1cccc(OC)c1[C@@H](N)[C@@H](O)Cc1ccccc1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is WEJUXYBARFUUQA-KYLFUZKPSA-N. The full InChI is InChI=1S/C17H21NO3.ClH/c1-20-14-9-6-10-15(21-2)16(14)17(18)13(19)11-12-7-4-3-5-8-12;/h3-10,13,17,19H,11,18H2,1-2H3;1H/t13-,17-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.73, 6 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)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171261422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).