(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol

C20H27NO4 — CID 67673862

IUPAC(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(CC(C)[C@@H](N)[C@H](O)c2ccccc2OC)cc1OC
InChIInChI=1S/C20H27NO4/c1-13(11-14-9-10-17(24-3)18(12-14)25-4)19(21)20(22)15-7-5-6-8-16(15)23-2/h5-10,12-13,19-20,22H,11,21H2,1-4H3/t13?,19-,20-/m1/s1
InChIKeyUUSCVAMFFJSMQH-MJDRAIRUSA-N
MW345.44 g/mol
LogP2.95
Rot. Bonds8

About (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol

(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol (PubChem CID 67673862) has the molecular formula C20H27NO4 and a molecular weight of 345.44 g/mol. Its IUPAC name is (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol
PubChem CID67673862
Molecular FormulaC20H27NO4
Molecular Weight345.44 g/mol
Exact Mass345.19
IUPAC Name(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol
SMILESCOc1ccc(CC(C)[C@@H](N)[C@H](O)c2ccccc2OC)cc1OC
InChIInChI=1S/C20H27NO4/c1-13(11-14-9-10-17(24-3)18(12-14)25-4)19(21)20(22)15-7-5-6-8-16(15)23-2/h5-10,12-13,19-20,22H,11,21H2,1-4H3/t13?,19-,20-/m1/s1
InChIKeyUUSCVAMFFJSMQH-MJDRAIRUSA-N
XLogP2.95
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673264
2-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(3-methylphenyl)butan-1-ol
CID 67673110
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
(1R,2R)-2-amino-4-(2-methoxyphenyl)-3-methyl-1-(2-phenylmethoxyphenyl)butan-1-ol
CID 67671687
2-amino-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-3-methylbutan-1-ol
CID 67673988
methyl 4-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbutanoate
CID 66289003
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
CID 57481807
1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 106645022

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol (CID 67673862) is (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol is COc1ccc(CC(C)[C@@H](N)[C@H](O)c2ccccc2OC)cc1OC.
What is the InChIKey of (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is UUSCVAMFFJSMQH-MJDRAIRUSA-N. The full InChI is InChI=1S/C20H27NO4/c1-13(11-14-9-10-17(24-3)18(12-14)25-4)19(21)20(22)15-7-5-6-8-16(15)23-2/h5-10,12-13,19-20,22H,11,21H2,1-4H3/t13?,19-,20-/m1/s1.
What are the key properties of (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol?
(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 345.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 67673862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).