1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol

C13H19F2NO2 — CID 113237042

IUPAC1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-13(17,5-6-18-2)9-16-8-10-7-11(14)3-4-12(10)15/h3-4,7,16-17H,5-6,8-9H2,1-2H3
InChIKeyCEFUUFZXGHGPJO-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.84
Rot. Bonds7

About 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol

1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 113237042) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
PubChem CID113237042
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-13(17,5-6-18-2)9-16-8-10-7-11(14)3-4-12(10)15/h3-4,7,16-17H,5-6,8-9H2,1-2H3
InChIKeyCEFUUFZXGHGPJO-UHFFFAOYSA-N
XLogP1.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-4-methoxyphenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106254304
1-[(2-bromo-5-chlorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 113244921
1-[(2-bromo-3-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106255103
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
1-[(3-bromo-5-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164721
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
4-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]-3-methylbenzonitrile
CID 106253911
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
1-[(3-fluoro-5-nitrophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106253897
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol (CID 113237042) is 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNCc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is CEFUUFZXGHGPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-13(17,5-6-18-2)9-16-8-10-7-11(14)3-4-12(10)15/h3-4,7,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol?
1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 259.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 113237042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).