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

C19H22F3N — CID 5221975

IUPACN-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)NCCCc1ccccc1
InChIInChI=1S/C19H22F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-5,7-9,11,14-15,23H,6,10,12-13H2,1H3
InChIKeyQQJPJXPWFWDIGG-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.86
Rot. Bonds7

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

N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 5221975) has the molecular formula C19H22F3N and a molecular weight of 321.39 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID5221975
Molecular FormulaC19H22F3N
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC NameN-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)NCCCc1ccccc1
InChIInChI=1S/C19H22F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-5,7-9,11,14-15,23H,6,10,12-13H2,1H3
InChIKeyQQJPJXPWFWDIGG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 5221975) is N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CC(Cc1cccc(C(F)(F)F)c1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is QQJPJXPWFWDIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-5,7-9,11,14-15,23H,6,10,12-13H2,1H3.
What are the key properties of N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-(3-phenylpropyl)-1-[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 N-(3-phenylpropyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 5221975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).