1-(2,5-difluorophenoxy)-N-propylpropan-2-amine

C12H17F2NO — CID 63269982

IUPAC1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
SMILESCCCNC(C)COc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-3-6-15-9(2)8-16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyTYJOFSSWHAEEKC-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.73
Rot. Bonds6

About 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine

1-(2,5-difluorophenoxy)-N-propylpropan-2-amine (PubChem CID 63269982) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
PubChem CID63269982
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
SMILESCCCNC(C)COc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO/c1-3-6-15-9(2)8-16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3
InChIKeyTYJOFSSWHAEEKC-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
CID 62784297
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine?
The IUPAC name of 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine (CID 63269982) is 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine is CCCNC(C)COc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine?
The InChIKey is TYJOFSSWHAEEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-6-15-9(2)8-16-12-7-10(13)4-5-11(12)14/h4-5,7,9,15H,3,6,8H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine?
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenoxy)-N-propylpropan-2-amine is sourced from PubChem (CID 63269982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).