[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine

C12H15F3N2 — CID 62592985

IUPAC[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-5-1-2-6-11(10)17-7-3-4-9(17)8-16/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyLZBLQBOSAINIQK-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.63
Rot. Bonds2

About [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine

[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine (PubChem CID 62592985) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
PubChem CID62592985
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3N2/c13-12(14,15)10-5-1-2-6-11(10)17-7-3-4-9(17)8-16/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyLZBLQBOSAINIQK-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
CID 117028559
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine
CID 103353554
[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 3072417
[1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 63766584
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline
CID 62885220
[1-(1,2,3-trimethyl-2H-benzimidazol-4-yl)pyrrolidin-2-yl]methanamine
CID 168988327
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine
CID 82386767
2-[2-(aminomethyl)pyrrolidin-1-yl]-6-chlorobenzamide
CID 113284612
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
[4-(2-propylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 83044639

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine (CID 62592985) is [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1c1ccccc1C(F)(F)F.
What is the InChIKey of [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine?
The InChIKey is LZBLQBOSAINIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)10-5-1-2-6-11(10)17-7-3-4-9(17)8-16/h1-2,5-6,9H,3-4,7-8,16H2.
What are the key properties of [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine?
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine has a molecular weight of 244.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 62592985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).