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

C12H15F3N2 — CID 62975033

IUPAC1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCN1CCC(Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N2/c1-17-6-5-11(8-17)16-10-4-2-3-9(7-10)12(13,14)15/h2-4,7,11,16H,5-6,8H2,1H3
InChIKeyXWBUSEGTCBWMBJ-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.82
Rot. Bonds2

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

1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 62975033) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID62975033
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESCN1CCC(Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N2/c1-17-6-5-11(8-17)16-10-4-2-3-9(7-10)12(13,14)15/h2-4,7,11,16H,5-6,8H2,1H3
InChIKeyXWBUSEGTCBWMBJ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 55139659
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thian-4-amine
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(3R)-1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiolan-3-amine
CID 7116118
tert-butyl 3-[3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 51064077
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
(2R)-2-chloro-2-[(3R)-3-[3-(trifluoromethyl)anilino]azepan-1-yl]acetaldehyde
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 62975033) is 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine is CN1CCC(Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is XWBUSEGTCBWMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-17-6-5-11(8-17)16-10-4-2-3-9(7-10)12(13,14)15/h2-4,7,11,16H,5-6,8H2,1H3.
What are the key properties of 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 62975033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).