1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one

C21H24F3NO — CID 19883698

IUPAC1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCN(C)CCCc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H24F3NO/c1-25(2)15-3-4-16-5-10-18(11-6-16)20(26)14-9-17-7-12-19(13-8-17)21(22,23)24/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKeyDUBPMSWQGZPMBP-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.02
Rot. Bonds8

About 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 19883698) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID19883698
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCN(C)CCCc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H24F3NO/c1-25(2)15-3-4-16-5-10-18(11-6-16)20(26)14-9-17-7-12-19(13-8-17)21(22,23)24/h5-8,10-13H,3-4,9,14-15H2,1-2H3
InChIKeyDUBPMSWQGZPMBP-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 19883698) is 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one is CN(C)CCCc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is DUBPMSWQGZPMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c1-25(2)15-3-4-16-5-10-18(11-6-16)20(26)14-9-17-7-12-19(13-8-17)21(22,23)24/h5-8,10-13H,3-4,9,14-15H2,1-2H3.
What are the key properties of 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 363.42 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)propyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 19883698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).