3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine

C13H19F2NO — CID 79627540

IUPAC3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-4-16-8-13(2,3)9-17-12-6-5-10(14)7-11(12)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyWYVCEYLROVJAHD-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.98
Rot. Bonds6

About 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine

3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 79627540) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID79627540
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-4-16-8-13(2,3)9-17-12-6-5-10(14)7-11(12)15/h5-7,16H,4,8-9H2,1-3H3
InChIKeyWYVCEYLROVJAHD-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-5-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 114264333
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
1-(2,4-difluorophenoxy)-N,2-dimethylpropan-2-amine
CID 82126938
N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
CID 79627608
1-(4-chloro-2-fluorophenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 114267868
3-(2-bromo-4-chloro-5-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 114042814
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
CID 79626722
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
3-(2,4-difluorophenoxy)-2,2-dimethylpropanethioamide
CID 82085774
1-[2-(2,4-difluorophenoxy)-1,1-difluoroethoxy]-2,4-difluorobenzene
CID 130313798

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine (CID 79627540) is 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is WYVCEYLROVJAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-16-8-13(2,3)9-17-12-6-5-10(14)7-11(12)15/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79627540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).