[1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine

C13H17F3N2 — CID 115312692

IUPAC[1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H17F3N2/c14-13(15,16)12(10-5-2-1-3-6-10)18-8-4-7-11(18)9-17/h1-3,5-6,11-12H,4,7-9,17H2
InChIKeyUUQYANBLYXGLSZ-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.71
Rot. Bonds3

About [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine

[1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine (PubChem CID 115312692) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine
PubChem CID115312692
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name[1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H17F3N2/c14-13(15,16)12(10-5-2-1-3-6-10)18-8-4-7-11(18)9-17/h1-3,5-6,11-12H,4,7-9,17H2
InChIKeyUUQYANBLYXGLSZ-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
1-[2-(aminomethyl)pyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119632680
[1-(2,2-diphenylethyl)pyrrolidin-2-yl]methanamine
CID 107292865
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
CID 66261742
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-[(1R)-1-(furan-2-yl)ethyl]pyrrolidin-2-yl]methanamine
CID 129427489
[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 62592985
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
(3S)-3-amino-1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124702264
(3R)-3-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124700162

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine (CID 115312692) is [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1C(c1ccccc1)C(F)(F)F.
What is the InChIKey of [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is UUQYANBLYXGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)12(10-5-2-1-3-6-10)18-8-4-7-11(18)9-17/h1-3,5-6,11-12H,4,7-9,17H2.
What are the key properties of [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine?
[1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 258.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoro-1-phenylethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115312692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).