3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine

C15H22F3N — CID 43625498

IUPAC3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22F3N/c1-4-9-19-14(10-15(16,17)18)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyUSHUZMAXZVGLQR-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.80
Rot. Bonds6

About 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine

3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine (PubChem CID 43625498) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
PubChem CID43625498
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22F3N/c1-4-9-19-14(10-15(16,17)18)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyUSHUZMAXZVGLQR-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116506010
3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107288813
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
CID 43488899
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
3,3,3-trifluoro-N-propyl-1-quinolin-6-ylpropan-1-amine
CID 81231447
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine (CID 43625498) is 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1ccc(C(C)C)cc1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine?
The InChIKey is USHUZMAXZVGLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-9-19-14(10-15(16,17)18)13-7-5-12(6-8-13)11(2)3/h5-8,11,14,19H,4,9-10H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 43625498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).