N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine

C16H17F3N2O — CID 14942338

IUPACN-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine
SMILESCCCOc1ccc(-c2ccc(N(C)C(F)(F)F)nc2)cc1
InChIInChI=1S/C16H17F3N2O/c1-3-10-22-14-7-4-12(5-8-14)13-6-9-15(20-11-13)21(2)16(17,18)19/h4-9,11H,3,10H2,1-2H3
InChIKeyVSPUVDFMVUSXBJ-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.49
Rot. Bonds5

About N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine

N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine (PubChem CID 14942338) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine
PubChem CID14942338
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine
SMILESCCCOc1ccc(-c2ccc(N(C)C(F)(F)F)nc2)cc1
InChIInChI=1S/C16H17F3N2O/c1-3-10-22-14-7-4-12(5-8-14)13-6-9-15(20-11-13)21(2)16(17,18)19/h4-9,11H,3,10H2,1-2H3
InChIKeyVSPUVDFMVUSXBJ-UHFFFAOYSA-N
XLogP4.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine (CID 14942338) is N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine is CCCOc1ccc(-c2ccc(N(C)C(F)(F)F)nc2)cc1.
What is the InChIKey of N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VSPUVDFMVUSXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-3-10-22-14-7-4-12(5-8-14)13-6-9-15(20-11-13)21(2)16(17,18)19/h4-9,11H,3,10H2,1-2H3.
What are the key properties of N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine?
N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine has a molecular weight of 310.32 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-propoxyphenyl)-N-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 14942338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).