2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol

C13H10ClF2NO — CID 107678317

IUPAC2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
SMILESOc1ccc(NCc2cccc(F)c2F)cc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-10-6-9(4-5-12(10)18)17-7-8-2-1-3-11(15)13(8)16/h1-6,17-18H,7H2
InChIKeyZVXIHXPVFVHOGS-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.94
Rot. Bonds3

About 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol

2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol (PubChem CID 107678317) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
PubChem CID107678317
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
SMILESOc1ccc(NCc2cccc(F)c2F)cc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-10-6-9(4-5-12(10)18)17-7-8-2-1-3-11(15)13(8)16/h1-6,17-18H,7H2
InChIKeyZVXIHXPVFVHOGS-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
3-[(2,3-difluorophenyl)methylamino]phenol
CID 63667379
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
4-chloro-N-[(2,3-difluorophenyl)methyl]-3-nitroaniline
CID 60721599
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
CID 107678736
2-chloro-4-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951437
2-[(3-chloro-4-ethoxyanilino)methyl]-6-fluorophenol
CID 115951574

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol?
The IUPAC name of 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol (CID 107678317) is 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol.
What is the SMILES notation for 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol?
The canonical SMILES for 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol is Oc1ccc(NCc2cccc(F)c2F)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol?
The InChIKey is ZVXIHXPVFVHOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-10-6-9(4-5-12(10)18)17-7-8-2-1-3-11(15)13(8)16/h1-6,17-18H,7H2.
What are the key properties of 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol?
2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol has a molecular weight of 269.68 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol is sourced from PubChem (CID 107678317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).