(1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol

C18H20N2O4 — CID 97309083

IUPAC(1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol
SMILESCOc1ccc(OC)c([C@@H](O)CNc2nccc3oc(C)cc23)c1
InChIInChI=1S/C18H20N2O4/c1-11-8-14-17(24-11)6-7-19-18(14)20-10-15(21)13-9-12(22-2)4-5-16(13)23-3/h4-9,15,21H,10H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyXKPPPKRDHIVZRG-HNNXBMFYSA-N
MW328.37 g/mol
LogP3.30
Rot. Bonds6

About (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol

(1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol (PubChem CID 97309083) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol
PubChem CID97309083
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol
SMILESCOc1ccc(OC)c([C@@H](O)CNc2nccc3oc(C)cc23)c1
InChIInChI=1S/C18H20N2O4/c1-11-8-14-17(24-11)6-7-19-18(14)20-10-15(21)13-9-12(22-2)4-5-16(13)23-3/h4-9,15,21H,10H2,1-3H3,(H,19,20)/t15-/m0/s1
InChIKeyXKPPPKRDHIVZRG-HNNXBMFYSA-N
XLogP3.30
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
2-[[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyridine-4-carbonitrile
CID 125142126
(1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 95776964
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1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
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(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol?
The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol (CID 97309083) is (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol.
What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol?
The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol is COc1ccc(OC)c([C@@H](O)CNc2nccc3oc(C)cc23)c1.
What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol?
The InChIKey is XKPPPKRDHIVZRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-8-14-17(24-11)6-7-19-18(14)20-10-15(21)13-9-12(22-2)4-5-16(13)23-3/h4-9,15,21H,10H2,1-3H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol?
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol has a molecular weight of 328.37 g/mol, XLogP of 3.30, 6 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-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol is sourced from PubChem (CID 97309083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).