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

C13H19F2NO — CID 62785968

IUPAC1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-5-16-12(4-2)9-17-13-7-10(14)6-11(15)8-13/h6-8,12,16H,3-5,9H2,1-2H3
InChIKeyNOXYWSMKPJLFEQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.12
Rot. Bonds7

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

1-(3,5-difluorophenoxy)-N-propylbutan-2-amine (PubChem CID 62785968) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
PubChem CID62785968
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1cc(F)cc(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-5-16-12(4-2)9-17-13-7-10(14)6-11(15)8-13/h6-8,12,16H,3-5,9H2,1-2H3
InChIKeyNOXYWSMKPJLFEQ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
CID 62785969
1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
CID 62784297
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
CID 62040001
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069
1-(2,6-difluorophenoxy)-N-propylbutan-2-amine
CID 81268673
1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475949
N-ethyl-1-(4-fluorophenoxy)butan-2-amine
CID 62038922
1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62785219
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(3,5-difluorophenoxy)-N-propylbutan-2-amine (CID 62785968) is 1-(3,5-difluorophenoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenoxy)-N-propylbutan-2-amine is CCCNC(CC)COc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenoxy)-N-propylbutan-2-amine?
The InChIKey is NOXYWSMKPJLFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-5-16-12(4-2)9-17-13-7-10(14)6-11(15)8-13/h6-8,12,16H,3-5,9H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenoxy)-N-propylbutan-2-amine?
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.12, 7 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-propylbutan-2-amine is sourced from PubChem (CID 62785968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).