[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine

C15H21F3N2O — CID 120772767

IUPAC[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cccc(OCC(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2O/c1-14(9-19)5-6-20(10-14)8-12-3-2-4-13(7-12)21-11-15(16,17)18/h2-4,7H,5-6,8-11,19H2,1H3
InChIKeyDNMNWKPIMHIIJV-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.80
Rot. Bonds5

About [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine

[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120772767) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
PubChem CID120772767
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cccc(OCC(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2O/c1-14(9-19)5-6-20(10-14)8-12-3-2-4-13(7-12)21-11-15(16,17)18/h2-4,7H,5-6,8-11,19H2,1H3
InChIKeyDNMNWKPIMHIIJV-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine (CID 120772767) is [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2cccc(OCC(F)(F)F)c2)C1.
What is the InChIKey of [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is DNMNWKPIMHIIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-14(9-19)5-6-20(10-14)8-12-3-2-4-13(7-12)21-11-15(16,17)18/h2-4,7H,5-6,8-11,19H2,1H3.
What are the key properties of [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine?
[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 302.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120772767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).