1-(3,5-difluorophenoxy)-N-propylpropan-2-amine

C12H17F2NO — CID 62784297

IUPAC1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
SMILESCCCNC(C)COc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-4-15-9(2)8-16-12-6-10(13)5-11(14)7-12/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyAESMEOHGTYYAKF-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.73
Rot. Bonds6

About 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine

1-(3,5-difluorophenoxy)-N-propylpropan-2-amine (PubChem CID 62784297) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
PubChem CID62784297
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
SMILESCCCNC(C)COc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-4-15-9(2)8-16-12-6-10(13)5-11(14)7-12/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyAESMEOHGTYYAKF-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-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
CID 62785969
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715
1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62785219
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168983
1-[2-(bromomethyl)pentoxy]-3,5-difluorobenzene
CID 65010768
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
1-(3,5-difluorophenyl)-2-methoxy-N-propylpropan-1-amine
CID 79616365

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine?
The IUPAC name of 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine (CID 62784297) is 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine is CCCNC(C)COc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine?
The InChIKey is AESMEOHGTYYAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-4-15-9(2)8-16-12-6-10(13)5-11(14)7-12/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenoxy)-N-propylpropan-2-amine?
1-(3,5-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-(3,5-difluorophenoxy)-N-propylpropan-2-amine is sourced from PubChem (CID 62784297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).