(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride

C18H24ClNO4 — CID 171267050

IUPAC(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1cc(OC)c([C@H](N)[C@H](O)Cc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C18H23NO4.ClH/c1-21-13-10-15(22-2)17(16(11-13)23-3)18(19)14(20)9-12-7-5-4-6-8-12;/h4-8,10-11,14,18,20H,9,19H2,1-3H3;1H/t14-,18-;/m1./s1
InChIKeyXEFXAOGXRSCUMT-KEZWHQCISA-N
MW353.85 g/mol
LogP2.74
Rot. Bonds7

About (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride (PubChem CID 171267050) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
PubChem CID171267050
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride
SMILESCOc1cc(OC)c([C@H](N)[C@H](O)Cc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C18H23NO4.ClH/c1-21-13-10-15(22-2)17(16(11-13)23-3)18(19)14(20)9-12-7-5-4-6-8-12;/h4-8,10-11,14,18,20H,9,19H2,1-3H3;1H/t14-,18-;/m1./s1
InChIKeyXEFXAOGXRSCUMT-KEZWHQCISA-N
XLogP2.74
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol
CID 171263112
4-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263085
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261422
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171266887
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
(1R,2S)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260969
(1R,2S)-1-amino-1-(6-methoxynaphthalen-2-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171261088
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol;hydrochloride
CID 171267048
2-[(1S,2R)-1-amino-2-hydroxy-3-phenylpropyl]-6-methoxyphenol;hydrochloride
CID 171270288
(1R,2S)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol;hydrochloride
CID 171264227
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol
CID 171267047
(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 171269901

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride (CID 171267050) is (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride is COc1cc(OC)c([C@H](N)[C@H](O)Cc2ccccc2)c(OC)c1.Cl.
What is the InChIKey of (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride?
The InChIKey is XEFXAOGXRSCUMT-KEZWHQCISA-N. The full InChI is InChI=1S/C18H23NO4.ClH/c1-21-13-10-15(22-2)17(16(11-13)23-3)18(19)14(20)9-12-7-5-4-6-8-12;/h4-8,10-11,14,18,20H,9,19H2,1-3H3;1H/t14-,18-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-3-phenyl-1-(2,4,6-trimethoxyphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171267050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).