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

C15H14ClF2NO2 — CID 29292740

IUPAC4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNCc1ccccc1OC(F)F
InChIInChI=1S/C15H14ClF2NO2/c16-12-5-6-13(20)11(7-12)9-19-8-10-3-1-2-4-14(10)21-15(17)18/h1-7,15,19-20H,8-9H2
InChIKeyJSMMJQHGMZZIEN-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.94
Rot. Bonds6

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

4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol (PubChem CID 29292740) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
PubChem CID29292740
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNCc1ccccc1OC(F)F
InChIInChI=1S/C15H14ClF2NO2/c16-12-5-6-13(20)11(7-12)9-19-8-10-3-1-2-4-14(10)21-15(17)18/h1-7,15,19-20H,8-9H2
InChIKeyJSMMJQHGMZZIEN-UHFFFAOYSA-N
XLogP3.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 62537424
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
1-(3,4-dichlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 29051450
1-(4-bromo-2-chlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 115595287
2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 78928435
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536
2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol
CID 107678079
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302833
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol (CID 29292740) is 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol is Oc1ccc(Cl)cc1CNCc1ccccc1OC(F)F.
What is the InChIKey of 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol?
The InChIKey is JSMMJQHGMZZIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c16-12-5-6-13(20)11(7-12)9-19-8-10-3-1-2-4-14(10)21-15(17)18/h1-7,15,19-20H,8-9H2.
What are the key properties of 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol?
4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol has a molecular weight of 313.73 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 29292740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).