N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine

C17H19F3N2O3 — CID 119122871

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESCOc1cccc(CNCc2ccc(OCC(F)(F)F)c(OC)c2)n1
InChIInChI=1S/C17H19F3N2O3/c1-23-15-8-12(6-7-14(15)25-11-17(18,19)20)9-21-10-13-4-3-5-16(22-13)24-2/h3-8,21H,9-11H2,1-2H3
InChIKeyQUBUGMCNHASXCX-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.33
Rot. Bonds8

About N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine

N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine (PubChem CID 119122871) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
PubChem CID119122871
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESCOc1cccc(CNCc2ccc(OCC(F)(F)F)c(OC)c2)n1
InChIInChI=1S/C17H19F3N2O3/c1-23-15-8-12(6-7-14(15)25-11-17(18,19)20)9-21-10-13-4-3-5-16(22-13)24-2/h3-8,21H,9-11H2,1-2H3
InChIKeyQUBUGMCNHASXCX-UHFFFAOYSA-N
XLogP3.33
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine with MolForge

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 119111095
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 119106543
1-(3-ethoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]methanamine
CID 63378526
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
3-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanoic acid
CID 138995261
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318041
4-(bromomethyl)-2-methoxy-1-(2,2,2-trifluoroethoxy)benzene
CID 43141747
1-[(3-chlorophenyl)methyl]-3-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylguanidine
CID 111176806
1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961935
2-methoxy-6-(2,2,2-trifluoroethoxy)pyridine
CID 154265042

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine (CID 119122871) is N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine is COc1cccc(CNCc2ccc(OCC(F)(F)F)c(OC)c2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The InChIKey is QUBUGMCNHASXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-23-15-8-12(6-7-14(15)25-11-17(18,19)20)9-21-10-13-4-3-5-16(22-13)24-2/h3-8,21H,9-11H2,1-2H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine?
N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine has a molecular weight of 356.34 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-1-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine is sourced from PubChem (CID 119122871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).