3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol

C12H17F2NO — CID 103731563

IUPAC3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESCc1cc(C)cc(CNCC(O)C(F)F)c1
InChIInChI=1S/C12H17F2NO/c1-8-3-9(2)5-10(4-8)6-15-7-11(16)12(13)14/h3-5,11-12,15-16H,6-7H2,1-2H3
InChIKeyNZQPHSNMJXKEOP-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.02
Rot. Bonds5

About 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol

3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731563) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731563
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESCc1cc(C)cc(CNCC(O)C(F)F)c1
InChIInChI=1S/C12H17F2NO/c1-8-3-9(2)5-10(4-8)6-15-7-11(16)12(13)14/h3-5,11-12,15-16H,6-7H2,1-2H3
InChIKeyNZQPHSNMJXKEOP-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-chloro-5-fluorophenyl)methylamino]-1,1-difluoropropan-2-ol
CID 104938141
1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol
CID 103748523
4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol
CID 11630418
4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-2-methoxyphenol
CID 114093294
3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731605
1-bromo-5-[(3,5-dimethylphenyl)methylamino]-4-hydroxypentan-2-one
CID 175538765
1-[(3,5-difluorophenyl)methylamino]-3-methylbutan-2-ol
CID 109481996
2-[4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]phenyl]propanoic acid
CID 114093868
3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731572
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1,1-difluoropropan-2-ol
CID 103731620
3-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731625
1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol
CID 110911157

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol (CID 103731563) is 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol is Cc1cc(C)cc(CNCC(O)C(F)F)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is NZQPHSNMJXKEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8-3-9(2)5-10(4-8)6-15-7-11(16)12(13)14/h3-5,11-12,15-16H,6-7H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol?
3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 229.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).