1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

C13H17F3N2 — CID 61462002

IUPAC1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN1CCC(NCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H17F3N2/c1-18-6-5-12(9-18)17-8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,17H,5-6,8-9H2,1H3
InChIKeyRFDXYHLZDQHYEL-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.50
Rot. Bonds3

About 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine

1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 61462002) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID61462002
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN1CCC(NCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H17F3N2/c1-18-6-5-12(9-18)17-8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,17H,5-6,8-9H2,1H3
InChIKeyRFDXYHLZDQHYEL-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-1-(1-methoxyprop-2-enyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 163393832
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
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4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine (CID 61462002) is 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is CN1CCC(NCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is RFDXYHLZDQHYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-18-6-5-12(9-18)17-8-10-3-2-4-11(7-10)13(14,15)16/h2-4,7,12,17H,5-6,8-9H2,1H3.
What are the key properties of 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine?
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 258.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 61462002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).