2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol

C14H11Cl2F2NO2 — CID 107678079

IUPAC2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol
SMILESOc1ccc(NCc2cc(Cl)ccc2OC(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F2NO2/c15-9-1-4-13(21-14(17)18)8(5-9)7-19-10-2-3-12(20)11(16)6-10/h1-6,14,19-20H,7H2
InChIKeyXAKZLIVWRGZVLE-UHFFFAOYSA-N
MW334.15 g/mol
LogP4.91
Rot. Bonds5

About 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol

2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol (PubChem CID 107678079) has the molecular formula C14H11Cl2F2NO2 and a molecular weight of 334.15 g/mol. Its IUPAC name is 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol
PubChem CID107678079
Molecular FormulaC14H11Cl2F2NO2
Molecular Weight334.15 g/mol
Exact Mass333.01
IUPAC Name2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol
SMILESOc1ccc(NCc2cc(Cl)ccc2OC(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F2NO2/c15-9-1-4-13(21-14(17)18)8(5-9)7-19-10-2-3-12(20)11(16)6-10/h1-6,14,19-20H,7H2
InChIKeyXAKZLIVWRGZVLE-UHFFFAOYSA-N
XLogP4.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-methylaniline
CID 63478583
4-bromo-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-fluoroaniline
CID 65436714
2-[[3-chloro-4-(difluoromethoxy)anilino]methyl]-4-fluorophenol
CID 103947763
N-[(4-chloro-2-fluorophenyl)methyl]-4-(difluoromethoxy)-3-fluoroaniline
CID 114842079
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
CID 81268813
3-chloro-N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 28555690
4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
CID 29292740
2-chloro-4-[(2-methoxy-5-methylphenyl)methylamino]phenol
CID 107677911
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol?
The IUPAC name of 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol (CID 107678079) is 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol.
What is the SMILES notation for 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol?
The canonical SMILES for 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol is Oc1ccc(NCc2cc(Cl)ccc2OC(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol?
The InChIKey is XAKZLIVWRGZVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO2/c15-9-1-4-13(21-14(17)18)8(5-9)7-19-10-2-3-12(20)11(16)6-10/h1-6,14,19-20H,7H2.
What are the key properties of 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol?
2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol has a molecular weight of 334.15 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol is sourced from PubChem (CID 107678079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).