2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

C15H21F3N2 — CID 79188682

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CN(C(CN)c2cccc(C(F)(F)F)c2)CC1C
InChIInChI=1S/C15H21F3N2/c1-10-8-20(9-11(10)2)14(7-19)12-4-3-5-13(6-12)15(16,17)18/h3-6,10-11,14H,7-9,19H2,1-2H3
InChIKeyIVDBLVHMNOCCAL-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.29
Rot. Bonds3

About 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 79188682) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID79188682
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCC1CN(C(CN)c2cccc(C(F)(F)F)c2)CC1C
InChIInChI=1S/C15H21F3N2/c1-10-8-20(9-11(10)2)14(7-19)12-4-3-5-13(6-12)15(16,17)18/h3-6,10-11,14H,7-9,19H2,1-2H3
InChIKeyIVDBLVHMNOCCAL-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115559424
2-(4-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 16792620
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine
CID 79188956
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
2-(4-bromo-3-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188495
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
(2-methylcyclopentyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107188498
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 79188682) is 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is CC1CN(C(CN)c2cccc(C(F)(F)F)c2)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is IVDBLVHMNOCCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-10-8-20(9-11(10)2)14(7-19)12-4-3-5-13(6-12)15(16,17)18/h3-6,10-11,14H,7-9,19H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 286.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 79188682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).