1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine

C13H16F4N2 — CID 103575425

IUPAC1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cc(F)cc(C(F)(F)F)c2)CC1N
InChIInChI=1S/C13H16F4N2/c1-8-5-19(7-12(8)18)6-9-2-10(13(15,16)17)4-11(14)3-9/h2-4,8,12H,5-7,18H2,1H3
InChIKeyUBCFBBHITFMOKX-UHFFFAOYSA-N
MW276.28 g/mol
LogP2.62
Rot. Bonds2

About 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 103575425) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID103575425
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(Cc2cc(F)cc(C(F)(F)F)c2)CC1N
InChIInChI=1S/C13H16F4N2/c1-8-5-19(7-12(8)18)6-9-2-10(13(15,16)17)4-11(14)3-9/h2-4,8,12H,5-7,18H2,1H3
InChIKeyUBCFBBHITFMOKX-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909105
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960042
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 118088070
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120905856
1-[[3-tert-butyl-5-(trifluoromethyl)phenyl]methyl]-3-fluoroazetidine
CID 164558920
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059830
[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114393433
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780785
1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908869
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine (CID 103575425) is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine is CC1CN(Cc2cc(F)cc(C(F)(F)F)c2)CC1N.
What is the InChIKey of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is UBCFBBHITFMOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-8-5-19(7-12(8)18)6-9-2-10(13(15,16)17)4-11(14)3-9/h2-4,8,12H,5-7,18H2,1H3.
What are the key properties of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine?
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 276.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).