(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol

C18H23NO4 — CID 171265334

IUPAC(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
SMILESCOc1cc(OCc2ccccc2)c([C@@H](N)[C@H](C)O)cc1OC
InChIInChI=1S/C18H23NO4/c1-12(20)18(19)14-9-16(21-2)17(22-3)10-15(14)23-11-13-7-5-4-6-8-13/h4-10,12,18,20H,11,19H2,1-3H3/t12-,18-/m0/s1
InChIKeyKVDYPYNHWARHLN-SGTLLEGYSA-N
MW317.39 g/mol
LogP2.66
Rot. Bonds7

About (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol

(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol (PubChem CID 171265334) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
PubChem CID171265334
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol
SMILESCOc1cc(OCc2ccccc2)c([C@@H](N)[C@H](C)O)cc1OC
InChIInChI=1S/C18H23NO4/c1-12(20)18(19)14-9-16(21-2)17(22-3)10-15(14)23-11-13-7-5-4-6-8-13/h4-10,12,18,20H,11,19H2,1-3H3/t12-,18-/m0/s1
InChIKeyKVDYPYNHWARHLN-SGTLLEGYSA-N
XLogP2.66
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171214367
(1S,2R)-2-amino-1-cyclopropyl-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanol
CID 171265338
(1R,2S)-2-amino-1-cyclobutyl-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethanol
CID 171271013
(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 171214318
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 171214375
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butane-1,4-diamine
CID 171214322
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171214333
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251150
(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propanenitrile
CID 171260650
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171214345

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol (CID 171265334) is (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol is COc1cc(OCc2ccccc2)c([C@@H](N)[C@H](C)O)cc1OC.
What is the InChIKey of (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol?
The InChIKey is KVDYPYNHWARHLN-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12(20)18(19)14-9-16(21-2)17(22-3)10-15(14)23-11-13-7-5-4-6-8-13/h4-10,12,18,20H,11,19H2,1-3H3/t12-,18-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol?
(1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol has a molecular weight of 317.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-2-ol is sourced from PubChem (CID 171265334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).