4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine

C14H19F4N — CID 64565153

IUPAC4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccc(F)c(C)c1
InChIInChI=1S/C14H19F4N/c1-3-8-19-13(6-7-14(16,17)18)11-4-5-12(15)10(2)9-11/h4-5,9,13,19H,3,6-8H2,1-2H3
InChIKeyQWLYUMZGZCMYEO-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.52
Rot. Bonds6

About 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine (PubChem CID 64565153) has the molecular formula C14H19F4N and a molecular weight of 277.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
PubChem CID64565153
Molecular FormulaC14H19F4N
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccc(F)c(C)c1
InChIInChI=1S/C14H19F4N/c1-3-8-19-13(6-7-14(16,17)18)11-4-5-12(15)10(2)9-11/h4-5,9,13,19H,3,6-8H2,1-2H3
InChIKeyQWLYUMZGZCMYEO-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
1-(4-bromo-3-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992611
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
1-(3-bromo-4-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024259
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine (CID 64565153) is 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1ccc(F)c(C)c1.
What is the InChIKey of 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is QWLYUMZGZCMYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-3-8-19-13(6-7-14(16,17)18)11-4-5-12(15)10(2)9-11/h4-5,9,13,19H,3,6-8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 64565153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).