N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine

C20H23F3N2O — CID 69425290

IUPACN-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine
SMILESCc1cc(CNC2CCNC2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O/c1-14-9-15(11-25-18-7-8-24-12-18)5-6-19(14)26-13-16-3-2-4-17(10-16)20(21,22)23/h2-6,9-10,18,24-25H,7-8,11-13H2,1H3
InChIKeyDZNMVMSFIUXENH-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.04
Rot. Bonds6

About N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine

N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine (PubChem CID 69425290) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine
PubChem CID69425290
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine
SMILESCc1cc(CNC2CCNC2)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O/c1-14-9-15(11-25-18-7-8-24-12-18)5-6-19(14)26-13-16-3-2-4-17(10-16)20(21,22)23/h2-6,9-10,18,24-25H,7-8,11-13H2,1H3
InChIKeyDZNMVMSFIUXENH-UHFFFAOYSA-N
XLogP4.04
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine (CID 69425290) is N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine is Cc1cc(CNC2CCNC2)ccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is DZNMVMSFIUXENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-14-9-15(11-25-18-7-8-24-12-18)5-6-19(14)26-13-16-3-2-4-17(10-16)20(21,22)23/h2-6,9-10,18,24-25H,7-8,11-13H2,1H3.
What are the key properties of N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine?
N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 364.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69425290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).