N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C12H15F3N2 — CID 43315016

IUPACN-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCNC1CCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2/c1-16-9-6-7-17(8-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,9,16H,6-8H2,1H3
InChIKeyPIHAKISYKJZFMQ-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.50
Rot. Bonds2

About N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine

N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 43315016) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID43315016
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCNC1CCN(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2/c1-16-9-6-7-17(8-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,9,16H,6-8H2,1H3
InChIKeyPIHAKISYKJZFMQ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315015
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 54927327
(3S)-N-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 124828974
N-[1-(oxolan-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 122139005
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 63035988
(3R,5R)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 94502238
1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine
CID 60862142
5-[3-(methylamino)pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 115300902
1-[2-(trifluoromethyl)phenyl]piperidine-4-carbonitrile
CID 117003363
N-methyl-9-[2-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714688
N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
CID 43315199

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 43315016) is N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is CNC1CCN(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is PIHAKISYKJZFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-16-9-6-7-17(8-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,9,16H,6-8H2,1H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 43315016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).