N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine

C19H23F3N4O — CID 86894438

IUPACN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
SMILESCN(Cc1cccc(OCC(F)(F)F)c1)CC1CCCN1c1cccnn1
InChIInChI=1S/C19H23F3N4O/c1-25(12-15-5-2-7-17(11-15)27-14-19(20,21)22)13-16-6-4-10-26(16)18-8-3-9-23-24-18/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3
InChIKeyBLBZYCFQZWKYDJ-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.52
Rot. Bonds7

About N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine

N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine (PubChem CID 86894438) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
PubChem CID86894438
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC NameN-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
SMILESCN(Cc1cccc(OCC(F)(F)F)c1)CC1CCCN1c1cccnn1
InChIInChI=1S/C19H23F3N4O/c1-25(12-15-5-2-7-17(11-15)27-14-19(20,21)22)13-16-6-4-10-26(16)18-8-3-9-23-24-18/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3
InChIKeyBLBZYCFQZWKYDJ-UHFFFAOYSA-N
XLogP3.52
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The IUPAC name of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine (CID 86894438) is N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine is CN(Cc1cccc(OCC(F)(F)F)c1)CC1CCCN1c1cccnn1.
What is the InChIKey of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The InChIKey is BLBZYCFQZWKYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-25(12-15-5-2-7-17(11-15)27-14-19(20,21)22)13-16-6-4-10-26(16)18-8-3-9-23-24-18/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3.
What are the key properties of N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine has a molecular weight of 380.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 86894438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).