(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol

C19H25NO5 — CID 94809006

IUPAC(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(OC)c(CNC[C@H](O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H25NO5/c1-22-14-5-7-18(24-3)13(9-14)11-20-12-17(21)16-10-15(23-2)6-8-19(16)25-4/h5-10,17,20-21H,11-12H2,1-4H3/t17-/m0/s1
InChIKeyXOFAJJDZLUYNHJ-KRWDZBQOSA-N
MW347.41 g/mol
LogP2.54
Rot. Bonds9

About (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol

(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol (PubChem CID 94809006) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
PubChem CID94809006
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(OC)c(CNC[C@H](O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C19H25NO5/c1-22-14-5-7-18(24-3)13(9-14)11-20-12-17(21)16-10-15(23-2)6-8-19(16)25-4/h5-10,17,20-21H,11-12H2,1-4H3/t17-/m0/s1
InChIKeyXOFAJJDZLUYNHJ-KRWDZBQOSA-N
XLogP2.54
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888253
1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
CID 78871605
1-[(2,5-dimethoxyphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119235
1-[(2,5-dimethoxyphenyl)methylamino]pentan-2-ol
CID 111118852
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 63001761
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(2,5-dimethoxyphenyl)-2-(hex-5-ynylamino)ethanol
CID 106211873
1-[(2,5-dimethoxyphenyl)methylamino]propan-2-yl acetate
CID 82532880
1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
CID 82941941
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol?
The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol (CID 94809006) is (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol?
The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol is COc1ccc(OC)c(CNC[C@H](O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol?
The InChIKey is XOFAJJDZLUYNHJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO5/c1-22-14-5-7-18(24-3)13(9-14)11-20-12-17(21)16-10-15(23-2)6-8-19(16)25-4/h5-10,17,20-21H,11-12H2,1-4H3/t17-/m0/s1.
What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol?
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol has a molecular weight of 347.41 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 94809006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).