1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine

C11H15F2NO — CID 82126938

IUPAC1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-11(2,14-3)7-15-10-5-4-8(12)6-9(10)13/h4-6,14H,7H2,1-3H3
InChIKeyYDVMPNAFDXDUQF-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.34
Rot. Bonds4

About 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine

1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine (PubChem CID 82126938) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
PubChem CID82126938
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)COc1ccc(F)cc1F
InChIInChI=1S/C11H15F2NO/c1-11(2,14-3)7-15-10-5-4-8(12)6-9(10)13/h4-6,14H,7H2,1-3H3
InChIKeyYDVMPNAFDXDUQF-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
3-(2,4-difluorophenoxy)-2,2-dimethylpropanethioamide
CID 82085774
1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
CID 130313798
N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 62572855
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
3-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672095
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine
CID 112547474
2-[(2,4-difluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066768

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine (CID 82126938) is 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine is CNC(C)(C)COc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine?
The InChIKey is YDVMPNAFDXDUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,14-3)7-15-10-5-4-8(12)6-9(10)13/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine?
1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 82126938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).