N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C15H21F3N2 — CID 58564601

IUPACN,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2/c1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3/h4-5,8,13H,6-7,9-10H2,1-3H3
InChIKeyVSIADHOTMDUKPY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.15
Rot. Bonds3

About N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 58564601) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID58564601
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2/c1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3/h4-5,8,13H,6-7,9-10H2,1-3H3
InChIKeyVSIADHOTMDUKPY-UHFFFAOYSA-N
XLogP3.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 58564601) is N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is Cc1ccc(CN2CCC(N(C)C)C2)c(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is VSIADHOTMDUKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11-4-5-12(14(8-11)15(16,17)18)9-20-7-6-13(10-20)19(2)3/h4-5,8,13H,6-7,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 286.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 58564601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).