[4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone

C14H17F3N2O — CID 62180624

IUPAC[4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-9-5-6-19(8-9)13(20)10-3-4-12(18-2)11(7-10)14(15,16)17/h3-4,7,9,18H,5-6,8H2,1-2H3
InChIKeyYCLWVWCGSDIPIS-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.23
Rot. Bonds2

About [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone

[4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 62180624) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID62180624
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCC(C)C2)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-9-5-6-19(8-9)13(20)10-3-4-12(18-2)11(7-10)14(15,16)17/h3-4,7,9,18H,5-6,8H2,1-2H3
InChIKeyYCLWVWCGSDIPIS-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81467076
[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 62155715
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 143518855
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
[3-(dimethylamino)pyrrolidin-1-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 71166836
[4-bromo-3-(trifluoromethyl)phenyl]-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 102961808
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
[4-amino-3-(trifluoromethyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942525
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone (CID 62180624) is [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone is CNc1ccc(C(=O)N2CCC(C)C2)cc1C(F)(F)F.
What is the InChIKey of [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is YCLWVWCGSDIPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-5-6-19(8-9)13(20)10-3-4-12(18-2)11(7-10)14(15,16)17/h3-4,7,9,18H,5-6,8H2,1-2H3.
What are the key properties of [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
[4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 286.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-3-(trifluoromethyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62180624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).