(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol

C11H15F2NO — CID 131561206

IUPAC(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
SMILESCc1ccc([C@@H](N)C(F)(F)CO)cc1C
InChIInChI=1S/C11H15F2NO/c1-7-3-4-9(5-8(7)2)10(14)11(12,13)6-15/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1
InChIKeyTZTRMYNCMIUODG-SNVBAGLBSA-N
MW215.24 g/mol
LogP1.93
Rot. Bonds3

About (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol

(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol (PubChem CID 131561206) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
PubChem CID131561206
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
SMILESCc1ccc([C@@H](N)C(F)(F)CO)cc1C
InChIInChI=1S/C11H15F2NO/c1-7-3-4-9(5-8(7)2)10(14)11(12,13)6-15/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1
InChIKeyTZTRMYNCMIUODG-SNVBAGLBSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol with MolForge

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Related Compounds

(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
(3R)-3-amino-2,2-difluoro-3-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 171241583
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240277
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
(3S)-3-amino-3-(4-ethoxy-3-methoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171250430
(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
CID 171244725
(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246158
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol (CID 131561206) is (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol is Cc1ccc([C@@H](N)C(F)(F)CO)cc1C.
What is the InChIKey of (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol?
The InChIKey is TZTRMYNCMIUODG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7-3-4-9(5-8(7)2)10(14)11(12,13)6-15/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol?
(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 131561206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).