1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol

C17H18F3NO2 — CID 110902096

IUPAC1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2ccc(OC(F)F)cc2)cc1F
InChIInChI=1S/C17H18F3NO2/c1-11-2-3-12(8-15(11)18)9-21-10-16(22)13-4-6-14(7-5-13)23-17(19)20/h2-8,16-17,21-22H,9-10H2,1H3
InChIKeyXCGWRYJDAJHFBX-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.56
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol

1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol (PubChem CID 110902096) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
PubChem CID110902096
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
SMILESCc1ccc(CNCC(O)c2ccc(OC(F)F)cc2)cc1F
InChIInChI=1S/C17H18F3NO2/c1-11-2-3-12(8-15(11)18)9-21-10-16(22)13-4-6-14(7-5-13)23-17(19)20/h2-8,16-17,21-22H,9-10H2,1H3
InChIKeyXCGWRYJDAJHFBX-UHFFFAOYSA-N
XLogP3.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(difluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)ethanol
CID 134033680
1-(3,5-dimethoxyphenyl)-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol
CID 111427307
1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 111424611
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 28678045
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
1-[4-(difluoromethoxy)phenyl]-2-(4-methylphenyl)ethanol
CID 63017905
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol (CID 110902096) is 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol is Cc1ccc(CNCC(O)c2ccc(OC(F)F)cc2)cc1F.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol?
The InChIKey is XCGWRYJDAJHFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-11-2-3-12(8-15(11)18)9-21-10-16(22)13-4-6-14(7-5-13)23-17(19)20/h2-8,16-17,21-22H,9-10H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol?
1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol has a molecular weight of 325.33 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-[(3-fluoro-4-methylphenyl)methylamino]ethanol is sourced from PubChem (CID 110902096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).