1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C13H17F3N2O — CID 167531121

IUPAC1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCOc1ccc(C(F)(F)F)c(CN2CCC(N)C2)c1
InChIInChI=1S/C13H17F3N2O/c1-19-11-2-3-12(13(14,15)16)9(6-11)7-18-5-4-10(17)8-18/h2-3,6,10H,4-5,7-8,17H2,1H3
InChIKeyNVXCAVSDOMNINR-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.25
Rot. Bonds3

About 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 167531121) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID167531121
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCOc1ccc(C(F)(F)F)c(CN2CCC(N)C2)c1
InChIInChI=1S/C13H17F3N2O/c1-19-11-2-3-12(13(14,15)16)9(6-11)7-18-5-4-10(17)8-18/h2-3,6,10H,4-5,7-8,17H2,1H3
InChIKeyNVXCAVSDOMNINR-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
(3S)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966557
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
CID 62067190
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
(E)-but-2-enedioic acid;1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69068497
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
3-[4-methoxy-2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 65325305
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
1-[(2-bromo-5-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691864

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 167531121) is 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is COc1ccc(C(F)(F)F)c(CN2CCC(N)C2)c1.
What is the InChIKey of 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is NVXCAVSDOMNINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-19-11-2-3-12(13(14,15)16)9(6-11)7-18-5-4-10(17)8-18/h2-3,6,10H,4-5,7-8,17H2,1H3.
What are the key properties of 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 167531121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).