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

C18H22FNO3 — CID 111427307

IUPAC1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
SMILESCOc1cc(OC)cc(C(O)CNCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H22FNO3/c1-12-4-5-13(6-17(12)19)10-20-11-18(21)14-7-15(22-2)9-16(8-14)23-3/h4-9,18,20-21H,10-11H2,1-3H3
InChIKeyLEKGMFWCPRRBHP-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.97
Rot. Bonds7

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

1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol (PubChem CID 111427307) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
PubChem CID111427307
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
SMILESCOc1cc(OC)cc(C(O)CNCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H22FNO3/c1-12-4-5-13(6-17(12)19)10-20-11-18(21)14-7-15(22-2)9-16(8-14)23-3/h4-9,18,20-21H,10-11H2,1-3H3
InChIKeyLEKGMFWCPRRBHP-UHFFFAOYSA-N
XLogP2.97
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 110902096
2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 111916706
1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
CID 78871605
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888245
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904534
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
1-(3,4-difluorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 792126
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 122140846
2-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 103038976

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol (CID 111427307) is 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol is COc1cc(OC)cc(C(O)CNCc2ccc(C)c(F)c2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol?
The InChIKey is LEKGMFWCPRRBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-12-4-5-13(6-17(12)19)10-20-11-18(21)14-7-15(22-2)9-16(8-14)23-3/h4-9,18,20-21H,10-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol?
1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol has a molecular weight of 319.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol is sourced from PubChem (CID 111427307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).