3-[(3,5-difluorophenyl)methylamino]butan-1-ol

C11H15F2NO — CID 109482032

IUPAC3-[(3,5-difluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-8(2-3-15)14-7-9-4-10(12)6-11(13)5-9/h4-6,8,14-15H,2-3,7H2,1H3
InChIKeyQJWJBDOGCJJIFZ-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.83
Rot. Bonds5

About 3-[(3,5-difluorophenyl)methylamino]butan-1-ol

3-[(3,5-difluorophenyl)methylamino]butan-1-ol (PubChem CID 109482032) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methylamino]butan-1-ol
PubChem CID109482032
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-[(3,5-difluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-8(2-3-15)14-7-9-4-10(12)6-11(13)5-9/h4-6,8,14-15H,2-3,7H2,1H3
InChIKeyQJWJBDOGCJJIFZ-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
CID 103854738
N-[(3,5-difluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115768175
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
3-[(3,5-difluorophenyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 109482085
3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol
CID 104879239
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
3-[(2-chloro-5-fluorophenyl)methylamino]butan-1-ol
CID 102615905
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(3,5-difluorophenyl)methylamino]butan-1-ol (CID 109482032) is 3-[(3,5-difluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(3,5-difluorophenyl)methylamino]butan-1-ol is CC(CCO)NCc1cc(F)cc(F)c1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methylamino]butan-1-ol?
The InChIKey is QJWJBDOGCJJIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8(2-3-15)14-7-9-4-10(12)6-11(13)5-9/h4-6,8,14-15H,2-3,7H2,1H3.
What are the key properties of 3-[(3,5-difluorophenyl)methylamino]butan-1-ol?
3-[(3,5-difluorophenyl)methylamino]butan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 109482032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).