3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine

C22H28F3N — CID 15908421

IUPAC3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)N(CCC(c1ccccc1)c1ccccc1C(F)(F)F)C(C)C
InChIInChI=1S/C22H28F3N/c1-16(2)26(17(3)4)15-14-19(18-10-6-5-7-11-18)20-12-8-9-13-21(20)22(23,24)25/h5-13,16-17,19H,14-15H2,1-4H3
InChIKeySKNXXBZNDOHSJM-UHFFFAOYSA-N
MW363.47 g/mol
LogP6.35
Rot. Bonds7

About 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine

3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 15908421) has the molecular formula C22H28F3N and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID15908421
Molecular FormulaC22H28F3N
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)N(CCC(c1ccccc1)c1ccccc1C(F)(F)F)C(C)C
InChIInChI=1S/C22H28F3N/c1-16(2)26(17(3)4)15-14-19(18-10-6-5-7-11-18)20-12-8-9-13-21(20)22(23,24)25/h5-13,16-17,19H,14-15H2,1-4H3
InChIKeySKNXXBZNDOHSJM-UHFFFAOYSA-N
XLogP6.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.47
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 15908421) is 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine is CC(C)N(CCC(c1ccccc1)c1ccccc1C(F)(F)F)C(C)C.
What is the InChIKey of 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is SKNXXBZNDOHSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N/c1-16(2)26(17(3)4)15-14-19(18-10-6-5-7-11-18)20-12-8-9-13-21(20)22(23,24)25/h5-13,16-17,19H,14-15H2,1-4H3.
What are the key properties of 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine?
3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 363.47 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N,N-di(propan-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 15908421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).