1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine

C15H22F3N — CID 79954110

IUPAC1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cc(C)cc(C)c1
InChIInChI=1S/C15H22F3N/c1-4-7-19-14(5-6-15(16,17)18)13-9-11(2)8-12(3)10-13/h8-10,14,19H,4-7H2,1-3H3
InChIKeyIAQOMZDHMLRXJZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.69
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine

1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 79954110) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID79954110
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cc(C)cc(C)c1
InChIInChI=1S/C15H22F3N/c1-4-7-19-14(5-6-15(16,17)18)13-9-11(2)8-12(3)10-13/h8-10,14,19H,4-7H2,1-3H3
InChIKeyIAQOMZDHMLRXJZ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
1-(3,5-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031317
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
1-(4-bromo-3-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992611
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(3,5-dimethylphenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928611

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 79954110) is 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is IAQOMZDHMLRXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-7-19-14(5-6-15(16,17)18)13-9-11(2)8-12(3)10-13/h8-10,14,19H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 79954110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).