(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine

C10H13F2N — CID 29069144

IUPAC(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine
SMILESCc1ccc([C@@H](N)C(F)F)cc1C
InChIInChI=1S/C10H13F2N/c1-6-3-4-8(5-7(6)2)9(13)10(11)12/h3-5,9-10H,13H2,1-2H3/t9-/m1/s1
InChIKeyBFGDOVOYIQXBLD-SECBINFHSA-N
MW185.22 g/mol
LogP2.57
Rot. Bonds2

About (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine

(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine (PubChem CID 29069144) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine
PubChem CID29069144
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine
SMILESCc1ccc([C@@H](N)C(F)F)cc1C
InChIInChI=1S/C10H13F2N/c1-6-3-4-8(5-7(6)2)9(13)10(11)12/h3-5,9-10H,13H2,1-2H3/t9-/m1/s1
InChIKeyBFGDOVOYIQXBLD-SECBINFHSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine 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

2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
(1R)-1-(3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 131078048
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945577
1-(3,4-dimethylphenyl)-2-ethylsulfonylpropan-1-amine
CID 82359986
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine?
The IUPAC name of (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine (CID 29069144) is (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine.
What is the SMILES notation for (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine?
The canonical SMILES for (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine is Cc1ccc([C@@H](N)C(F)F)cc1C.
What is the InChIKey of (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine?
The InChIKey is BFGDOVOYIQXBLD-SECBINFHSA-N. The full InChI is InChI=1S/C10H13F2N/c1-6-3-4-8(5-7(6)2)9(13)10(11)12/h3-5,9-10H,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine?
(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine has a molecular weight of 185.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 29069144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).