[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine

C13H17F3N2O — CID 115311651

IUPAC[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)19-12-6-2-1-4-10(12)9-18-7-3-5-11(18)8-17/h1-2,4,6,11H,3,5,7-9,17H2
InChIKeyDMFBTDVWAQZOER-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.51
Rot. Bonds4

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

[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115311651) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine
PubChem CID115311651
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)19-12-6-2-1-4-10(12)9-18-7-3-5-11(18)8-17/h1-2,4,6,11H,3,5,7-9,17H2
InChIKeyDMFBTDVWAQZOER-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927174
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
[(2S)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 99927817
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
CID 99953156
[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311614
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975773
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926966
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120966357

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine (CID 115311651) is [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine is NCC1CCCN1Cc1ccccc1OC(F)(F)F.
What is the InChIKey of [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is DMFBTDVWAQZOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)19-12-6-2-1-4-10(12)9-18-7-3-5-11(18)8-17/h1-2,4,6,11H,3,5,7-9,17H2.
What are the key properties of [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine?
[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 274.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115311651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).