1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine

C19H22F3N — CID 63412549

IUPAC1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N/c1-2-11-23-18(13-15-7-4-3-5-8-15)14-16-9-6-10-17(12-16)19(20,21)22/h3-10,12,18,23H,2,11,13-14H2,1H3
InChIKeyCLNGZCITZDWBLR-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.86
Rot. Bonds7

About 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine

1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 63412549) has the molecular formula C19H22F3N and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID63412549
Molecular FormulaC19H22F3N
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N/c1-2-11-23-18(13-15-7-4-3-5-8-15)14-16-9-6-10-17(12-16)19(20,21)22/h3-10,12,18,23H,2,11,13-14H2,1H3
InChIKeyCLNGZCITZDWBLR-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79093607
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 115831156
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine
CID 63413266
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
CID 11114323
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 63412549) is 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine is CCCNC(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is CLNGZCITZDWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N/c1-2-11-23-18(13-15-7-4-3-5-8-15)14-16-9-6-10-17(12-16)19(20,21)22/h3-10,12,18,23H,2,11,13-14H2,1H3.
What are the key properties of 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 321.39 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 63412549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).