1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine

C12H17F2N — CID 62195909

IUPAC1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-12(2,3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3
InChIKeyHAGMEDCLADZNTP-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.88
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine

1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine (PubChem CID 62195909) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
PubChem CID62195909
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-12(2,3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3
InChIKeyHAGMEDCLADZNTP-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine 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

1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
1-(2,4-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448979
1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311785
1-(2,4-difluorophenyl)propane-2-sulfonamide
CID 172765105
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
N-tert-butyl-4-(2,4-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 81015212
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine (CID 62195909) is 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine?
The InChIKey is HAGMEDCLADZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-12(2,3)11(15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11H,6,15H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine?
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 62195909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).