2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol

C10H12ClF2NO2 — CID 43424974

IUPAC2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
SMILESOCCNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H12ClF2NO2/c11-8-1-2-9(16-10(12)13)7(5-8)6-14-3-4-15/h1-2,5,10,14-15H,3-4,6H2
InChIKeyKPVAZDYTBVAJQY-UHFFFAOYSA-N
MW251.66 g/mol
LogP2.02
Rot. Bonds6

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

2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol (PubChem CID 43424974) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
PubChem CID43424974
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Name2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
SMILESOCCNCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H12ClF2NO2/c11-8-1-2-9(16-10(12)13)7(5-8)6-14-3-4-15/h1-2,5,10,14-15H,3-4,6H2
InChIKeyKPVAZDYTBVAJQY-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302833
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
methyl 3-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 43425032
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 43425082
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
CID 115325198
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-but-3-enoxy-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 103854557
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 43425059
2-[(5-chloro-2-cyclopentyloxyphenyl)methylamino]ethanol
CID 111470408
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 62349799

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol (CID 43424974) is 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol is OCCNCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol?
The InChIKey is KPVAZDYTBVAJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2/c11-8-1-2-9(16-10(12)13)7(5-8)6-14-3-4-15/h1-2,5,10,14-15H,3-4,6H2.
What are the key properties of 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol?
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol has a molecular weight of 251.66 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol is sourced from PubChem (CID 43424974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).