1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol

C12H17F2NO — CID 109481996

IUPAC1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-8(2)12(16)7-15-6-9-3-10(13)5-11(14)4-9/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyBKUUEECKUBIHGT-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.07
Rot. Bonds5

About 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol

1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol (PubChem CID 109481996) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
PubChem CID109481996
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-8(2)12(16)7-15-6-9-3-10(13)5-11(14)4-9/h3-5,8,12,15-16H,6-7H2,1-2H3
InChIKeyBKUUEECKUBIHGT-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905457
1-[(2,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421909
3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104938141
N-[(3,5-difluorophenyl)methyl]-3-methylbutan-1-amine
CID 21355559
1-[(3-fluoro-4-nitrophenyl)methylamino]-3-methylbutan-2-ol
CID 113492188
3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol
CID 111422011
3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731563
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol;dihydrochloride
CID 57487288
1-[(3-iodo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 119134636

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol (CID 109481996) is 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol is CC(C)C(O)CNCc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol?
The InChIKey is BKUUEECKUBIHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(2)12(16)7-15-6-9-3-10(13)5-11(14)4-9/h3-5,8,12,15-16H,6-7H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol?
1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 109481996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).