1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine

C17H25F2NO — CID 115846981

IUPAC1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC1CCOCC1
InChIInChI=1S/C17H25F2NO/c1-2-7-20-15(10-13-5-8-21-9-6-13)11-14-3-4-16(18)17(19)12-14/h3-4,12-13,15,20H,2,5-11H2,1H3
InChIKeyTYLVTOPUDJUTTE-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.69
Rot. Bonds7

About 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine

1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine (PubChem CID 115846981) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
PubChem CID115846981
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)c(F)c1)CC1CCOCC1
InChIInChI=1S/C17H25F2NO/c1-2-7-20-15(10-13-5-8-21-9-6-13)11-14-3-4-16(18)17(19)12-14/h3-4,12-13,15,20H,2,5-11H2,1H3
InChIKeyTYLVTOPUDJUTTE-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-difluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105298960
1-(3-bromophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 62600989
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
1-(4-chlorophenyl)-N-ethyl-3-(oxan-4-yl)propan-2-amine
CID 62601125
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-(oxolan-3-yl)propan-2-amine
CID 103987220
1-(3,4-difluorophenyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105013377
1-(3,4-difluorophenyl)-4-ethyl-N-propylhexan-2-amine
CID 105028359
1-(3,4-difluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105176044
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103040443
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1-(3,4-difluorophenyl)-3-ethoxy-N-propylpropan-2-amine
CID 82922348
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine (CID 115846981) is 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(F)c(F)c1)CC1CCOCC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine?
The InChIKey is TYLVTOPUDJUTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-2-7-20-15(10-13-5-8-21-9-6-13)11-14-3-4-16(18)17(19)12-14/h3-4,12-13,15,20H,2,5-11H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine?
1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 115846981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).