3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol

C14H12ClF2NO — CID 78960259

IUPAC3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol
SMILESOc1cccc(Cl)c1CNCc1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2NO/c15-12-2-1-3-14(19)11(12)8-18-7-9-6-10(16)4-5-13(9)17/h1-6,18-19H,7-8H2
InChIKeyUQOAOWFOCIIELR-UHFFFAOYSA-N
MW283.70 g/mol
LogP3.61
Rot. Bonds4

About 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol

3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol (PubChem CID 78960259) has the molecular formula C14H12ClF2NO and a molecular weight of 283.70 g/mol. Its IUPAC name is 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol
PubChem CID78960259
Molecular FormulaC14H12ClF2NO
Molecular Weight283.70 g/mol
Exact Mass283.06
IUPAC Name3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol
SMILESOc1cccc(Cl)c1CNCc1cc(F)ccc1F
InChIInChI=1S/C14H12ClF2NO/c15-12-2-1-3-14(19)11(12)8-18-7-9-6-10(16)4-5-13(9)17/h1-6,18-19H,7-8H2
InChIKeyUQOAOWFOCIIELR-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 63794809
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797
3-chloro-2-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 114317924
3-chloro-2-[[1-(2,5-difluorophenyl)ethylamino]methyl]phenol
CID 78960006
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
2-[(2-bromo-5-fluoroanilino)methyl]-3-chlorophenol
CID 107633445
3-chloro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 114317858
3-chloro-2-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenol
CID 103731573
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol (CID 78960259) is 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol is Oc1cccc(Cl)c1CNCc1cc(F)ccc1F.
What is the InChIKey of 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol?
The InChIKey is UQOAOWFOCIIELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-12-2-1-3-14(19)11(12)8-18-7-9-6-10(16)4-5-13(9)17/h1-6,18-19H,7-8H2.
What are the key properties of 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol?
3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol has a molecular weight of 283.70 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(2,5-difluorophenyl)methylamino]methyl]phenol is sourced from PubChem (CID 78960259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).