[(2,5-difluorophenyl)methylamino]methanol

C8H9F2NO — CID 115228968

IUPAC[(2,5-difluorophenyl)methylamino]methanol
SMILESOCNCc1cc(F)ccc1F
InChIInChI=1S/C8H9F2NO/c9-7-1-2-8(10)6(3-7)4-11-5-12/h1-3,11-12H,4-5H2
InChIKeyAVEZPUYGQKNDRE-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.00
Rot. Bonds3

About [(2,5-difluorophenyl)methylamino]methanol

[(2,5-difluorophenyl)methylamino]methanol (PubChem CID 115228968) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is [(2,5-difluorophenyl)methylamino]methanol.

Molecular Properties

Compound Name[(2,5-difluorophenyl)methylamino]methanol
PubChem CID115228968
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name[(2,5-difluorophenyl)methylamino]methanol
SMILESOCNCc1cc(F)ccc1F
InChIInChI=1S/C8H9F2NO/c9-7-1-2-8(10)6(3-7)4-11-5-12/h1-3,11-12H,4-5H2
InChIKeyAVEZPUYGQKNDRE-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
methyl 2-[(2,5-difluorophenyl)methylamino]acetate
CID 43312522
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
3-[(2,5-difluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448600
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-[(2,5-difluorophenyl)methylamino]ethylurea
CID 83111439
1-(2,6-difluorophenyl)-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 63794992
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-fluorophenol
CID 103948044
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966818

Frequently Asked Questions

What is the IUPAC name of [(2,5-difluorophenyl)methylamino]methanol?
The IUPAC name of [(2,5-difluorophenyl)methylamino]methanol (CID 115228968) is [(2,5-difluorophenyl)methylamino]methanol.
What is the SMILES notation for [(2,5-difluorophenyl)methylamino]methanol?
The canonical SMILES for [(2,5-difluorophenyl)methylamino]methanol is OCNCc1cc(F)ccc1F.
What is the InChIKey of [(2,5-difluorophenyl)methylamino]methanol?
The InChIKey is AVEZPUYGQKNDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-7-1-2-8(10)6(3-7)4-11-5-12/h1-3,11-12H,4-5H2.
What are the key properties of [(2,5-difluorophenyl)methylamino]methanol?
[(2,5-difluorophenyl)methylamino]methanol has a molecular weight of 173.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-difluorophenyl)methylamino]methanol is sourced from PubChem (CID 115228968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).