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

C12H17F2NO — CID 62486090

IUPAC3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)COc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-15-7-9(2)8-16-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyBUDWPNULOOAONQ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.59
Rot. Bonds6

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

3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine (PubChem CID 62486090) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
PubChem CID62486090
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)COc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-15-7-9(2)8-16-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyBUDWPNULOOAONQ-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
3-(6-bromonaphthalen-2-yl)oxy-N-ethyl-2-methylpropan-1-amine
CID 62459947
3-(4-bromo-3-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 65201278
N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
CID 62549610
N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine
CID 62486582
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
2-[4-[3-(ethylamino)-2-methylpropoxy]phenyl]ethanol
CID 107709363
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
CID 86262545
4-[2-(bromomethyl)butoxy]-1,2-difluorobenzene
CID 64995343
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethylpropan-1-amine
CID 102747245
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine (CID 62486090) is 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)COc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is BUDWPNULOOAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-15-7-9(2)8-16-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine?
3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62486090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).