N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline

C13H17F3N2 — CID 155689131

IUPACN-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline
SMILESCNc1cc(C2CCN(C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2/c1-17-12-6-10(9-3-4-18(2)8-9)5-11(7-12)13(14,15)16/h5-7,9,17H,3-4,8H2,1-2H3
InChIKeyUKIVJSJORGOQIX-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.17
Rot. Bonds2

About N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline

N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline (PubChem CID 155689131) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline
PubChem CID155689131
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline
SMILESCNc1cc(C2CCN(C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2/c1-17-12-6-10(9-3-4-18(2)8-9)5-11(7-12)13(14,15)16/h5-7,9,17H,3-4,8H2,1-2H3
InChIKeyUKIVJSJORGOQIX-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-N-methyl-5-(trifluoromethyl)aniline
CID 123932964
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)aniline
CID 123362955
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 62975033
3-tert-butyl-N-methyl-5-(trifluoromethyl)aniline
CID 131522513
[4-methyl-3-[2-[2-(methylamino)pyrimidin-5-yl]ethynyl]phenyl]-[3-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)anilino]methanol
CID 162603669
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 97244489
1-methyl-5-(1-methylpyrrolidin-3-yl)-3-(trifluoromethyl)pyrazole
CID 116861980
N,4-dimethyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 116894677
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline (CID 155689131) is N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline is CNc1cc(C2CCN(C)C2)cc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline?
The InChIKey is UKIVJSJORGOQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-17-12-6-10(9-3-4-18(2)8-9)5-11(7-12)13(14,15)16/h5-7,9,17H,3-4,8H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline?
N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline has a molecular weight of 258.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrrolidin-3-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 155689131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).