N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

C21H19F3N2O3 — CID 54757948

IUPACN-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESCOc1ccc(CON(Cc2ccc(OC(F)(F)F)cc2)c2ccccn2)cc1
InChIInChI=1S/C21H19F3N2O3/c1-27-18-9-7-17(8-10-18)15-28-26(20-4-2-3-13-25-20)14-16-5-11-19(12-6-16)29-21(22,23)24/h2-13H,14-15H2,1H3
InChIKeyHITOPCRCPBKBCF-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.13
Rot. Bonds8

About N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine

N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 54757948) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
PubChem CID54757948
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine
SMILESCOc1ccc(CON(Cc2ccc(OC(F)(F)F)cc2)c2ccccn2)cc1
InChIInChI=1S/C21H19F3N2O3/c1-27-18-9-7-17(8-10-18)15-28-26(20-4-2-3-13-25-20)14-16-5-11-19(12-6-16)29-21(22,23)24/h2-13H,14-15H2,1H3
InChIKeyHITOPCRCPBKBCF-UHFFFAOYSA-N
XLogP5.13
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine (CID 54757948) is N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is COc1ccc(CON(Cc2ccc(OC(F)(F)F)cc2)c2ccccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
The InChIKey is HITOPCRCPBKBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-27-18-9-7-17(8-10-18)15-28-26(20-4-2-3-13-25-20)14-16-5-11-19(12-6-16)29-21(22,23)24/h2-13H,14-15H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine?
N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine has a molecular weight of 404.39 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methoxy]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 54757948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).