2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine

C12H17F2NO — CID 62784283

IUPAC2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-12(2,3)11(7-15)16-10-5-8(13)4-9(14)6-10/h4-6,11H,7,15H2,1-3H3
InChIKeyUSEJGPWRLNLXKL-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.72
Rot. Bonds3

About 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine

2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine (PubChem CID 62784283) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine
PubChem CID62784283
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)C(CN)Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-12(2,3)11(7-15)16-10-5-8(13)4-9(14)6-10/h4-6,11H,7,15H2,1-3H3
InChIKeyUSEJGPWRLNLXKL-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-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

2-(3,5-difluorophenoxy)-3-methylbutan-1-amine
CID 62784520
4-(3,5-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 62784471
4-(3,5-difluorophenoxy)pentan-2-amine
CID 64720470
2-(2-chlorophenyl)-2-(3,5-difluorophenoxy)ethanamine
CID 62785210
4-amino-2-(3,5-difluorophenoxy)butanoic acid
CID 64695243
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62785219
4-(3,5-difluorophenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 64728208
4-(3,5-difluorophenoxy)-N-methylpentan-2-amine
CID 64720468
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
1-(3,5-difluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62785959
2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 63879499

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine (CID 62784283) is 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine is CC(C)(C)C(CN)Oc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine?
The InChIKey is USEJGPWRLNLXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,3)11(7-15)16-10-5-8(13)4-9(14)6-10/h4-6,11H,7,15H2,1-3H3.
What are the key properties of 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine?
2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 62784283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).