[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone

C15H19F3N2O — CID 71166836

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)N2CCC(N(C)C)C2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-10-4-5-11(8-13(10)15(16,17)18)14(21)20-7-6-12(9-20)19(2)3/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyXVXOAJJVPAEMHP-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.79
Rot. Bonds2

About [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone (PubChem CID 71166836) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
PubChem CID71166836
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
SMILESCc1ccc(C(=O)N2CCC(N(C)C)C2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-10-4-5-11(8-13(10)15(16,17)18)14(21)20-7-6-12(9-20)19(2)3/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyXVXOAJJVPAEMHP-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855
[3-(dimethylamino)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63528357
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-methyl-4-(2-methylpentan-2-yl)phenyl]methanone
CID 130399840
(3-amino-4-bromophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166595
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
[3-(dimethylamino)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 55159465
[3-(dimethylamino)pyrrolidin-1-yl]-(4-fluoro-3-nitrophenyl)methanone
CID 63165483
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81467076
[4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180624
(3S,6R)-1-(3-chloro-4-methylbenzoyl)-6-(dimethylamino)azepane-3-carboxylic acid
CID 170504472

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone (CID 71166836) is [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone is Cc1ccc(C(=O)N2CCC(N(C)C)C2)cc1C(F)(F)F.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is XVXOAJJVPAEMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-4-5-11(8-13(10)15(16,17)18)14(21)20-7-6-12(9-20)19(2)3/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 300.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 71166836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).