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

C12H17F2NO — CID 63037624

IUPAC1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)COc1cccc(F)c1F
InChIInChI=1S/C12H17F2NO/c1-12(2,3)10(15)7-16-9-6-4-5-8(13)11(9)14/h4-6,10H,7,15H2,1-3H3
InChIKeyJUBQLZYCBNIOQI-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.72
Rot. Bonds3

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

1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine (PubChem CID 63037624) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
PubChem CID63037624
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)COc1cccc(F)c1F
InChIInChI=1S/C12H17F2NO/c1-12(2,3)10(15)7-16-9-6-4-5-8(13)11(9)14/h4-6,10H,7,15H2,1-3H3
InChIKeyJUBQLZYCBNIOQI-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

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Related Compounds

(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
CID 63905866
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
4-(2,3-difluorophenoxy)-5,5-dimethylhexan-3-amine
CID 55143417
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
CID 64998716

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine (CID 63037624) is 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)COc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine?
The InChIKey is JUBQLZYCBNIOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,3)10(15)7-16-9-6-4-5-8(13)11(9)14/h4-6,10H,7,15H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine?
1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-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 1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 63037624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).