1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol

C18H22FNO4 — CID 78871605

IUPAC1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(OC)c(C(O)CNCc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H22FNO4/c1-22-13-5-7-17(23-2)14(9-13)16(21)11-20-10-12-4-6-18(24-3)15(19)8-12/h4-9,16,20-21H,10-11H2,1-3H3
InChIKeySLWKBHBXCOFSTJ-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.67
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol

1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol (PubChem CID 78871605) has the molecular formula C18H22FNO4 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
PubChem CID78871605
Molecular FormulaC18H22FNO4
Molecular Weight335.38 g/mol
Exact Mass335.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccc(OC)c(C(O)CNCc2ccc(OC)c(F)c2)c1
InChIInChI=1S/C18H22FNO4/c1-22-13-5-7-17(23-2)14(9-13)16(21)11-20-10-12-4-6-18(24-3)15(19)8-12/h4-9,16,20-21H,10-11H2,1-3H3
InChIKeySLWKBHBXCOFSTJ-UHFFFAOYSA-N
XLogP2.67
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
2-(2,4-difluorophenoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 110907757
1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 111427307
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-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol
CID 115703077
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
2-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylbutanoic acid
CID 115250315
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol (CID 78871605) is 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol is COc1ccc(OC)c(C(O)CNCc2ccc(OC)c(F)c2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol?
The InChIKey is SLWKBHBXCOFSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4/c1-22-13-5-7-17(23-2)14(9-13)16(21)11-20-10-12-4-6-18(24-3)15(19)8-12/h4-9,16,20-21H,10-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol?
1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol has a molecular weight of 335.38 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 78871605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).