1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine

C15H22F3N3 — CID 107521048

IUPAC1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC(N)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3/c1-20(2)11-7-8-21(9-11)10-14(19)12-5-3-4-6-13(12)15(16,17)18/h3-6,11,14H,7-10,19H2,1-2H3
InChIKeyKQNZYHRSEAYUFA-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 107521048) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID107521048
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CC(N)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H22F3N3/c1-20(2)11-7-8-21(9-11)10-14(19)12-5-3-4-6-13(12)15(16,17)18/h3-6,11,14H,7-10,19H2,1-2H3
InChIKeyKQNZYHRSEAYUFA-UHFFFAOYSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-naphthalen-1-ylethyl)-N,N-dimethylpyrrolidin-3-amine
CID 63163943
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053
2-(2,5-dimethylpiperidin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107521572
1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164076
1-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163900
1-[2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63163944
1-[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-N,N-dimethylpiperidin-3-amine
CID 115996985
N,N-dimethyl-1-[2-(methylamino)-2-phenylethyl]pyrrolidin-3-amine
CID 63164036
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
1-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63164252
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 107521048) is 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CC(N)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is KQNZYHRSEAYUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-20(2)11-7-8-21(9-11)10-14(19)12-5-3-4-6-13(12)15(16,17)18/h3-6,11,14H,7-10,19H2,1-2H3.
What are the key properties of 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 301.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 107521048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).