2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol

C20H17F2NO3 — CID 69014436

IUPAC2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol
SMILESCOc1ccc(Oc2cccc(CNc3ccc(F)c(F)c3O)c2)cc1
InChIInChI=1S/C20H17F2NO3/c1-25-14-5-7-15(8-6-14)26-16-4-2-3-13(11-16)12-23-18-10-9-17(21)19(22)20(18)24/h2-11,23-24H,12H2,1H3
InChIKeyQAPRMXRNFNLNCQ-UHFFFAOYSA-N
MW357.36 g/mol
LogP5.08
Rot. Bonds6

About 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol

2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol (PubChem CID 69014436) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol.

Molecular Properties

Compound Name2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol
PubChem CID69014436
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol
SMILESCOc1ccc(Oc2cccc(CNc3ccc(F)c(F)c3O)c2)cc1
InChIInChI=1S/C20H17F2NO3/c1-25-14-5-7-15(8-6-14)26-16-4-2-3-13(11-16)12-23-18-10-9-17(21)19(22)20(18)24/h2-11,23-24H,12H2,1H3
InChIKeyQAPRMXRNFNLNCQ-UHFFFAOYSA-N
XLogP5.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.36
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-6-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 69011759
[3-(4-methoxyphenoxy)phenyl]methylhydrazine
CID 53425280
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
2-[[3-(4-tert-butylphenoxy)phenyl]methylamino]-6-fluorophenol;2-[[3-(4-chlorophenoxy)phenyl]methylamino]-6-fluorophenol;2-fluoro-6-[(3-phenoxyphenyl)methylamino]phenol;2-fluoro-6-[(3-phenylmethoxyphenyl)methylamino]phenol
CID 160900439
3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533179
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561
2-fluoro-4-[(3-phenoxyphenyl)methylamino]phenol
CID 69011029
6-[[3-(4-tert-butylphenoxy)phenyl]methylamino]-2,4-dichloro-3-methylphenol
CID 58828938
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol?
The IUPAC name of 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol (CID 69014436) is 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol.
What is the SMILES notation for 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol?
The canonical SMILES for 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol is COc1ccc(Oc2cccc(CNc3ccc(F)c(F)c3O)c2)cc1.
What is the InChIKey of 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol?
The InChIKey is QAPRMXRNFNLNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3/c1-25-14-5-7-15(8-6-14)26-16-4-2-3-13(11-16)12-23-18-10-9-17(21)19(22)20(18)24/h2-11,23-24H,12H2,1H3.
What are the key properties of 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol?
2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol has a molecular weight of 357.36 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-[[3-(4-methoxyphenoxy)phenyl]methylamino]phenol is sourced from PubChem (CID 69014436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).