N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine

C14H13F3N2O — CID 79251088

IUPACN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine
SMILESCNc1ccnc(COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H13F3N2O/c1-18-11-5-6-19-12(8-11)9-20-13-4-2-3-10(7-13)14(15,16)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyMPXLUYVPDLXRFR-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.72
Rot. Bonds4

About N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine

N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine (PubChem CID 79251088) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine
PubChem CID79251088
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine
SMILESCNc1ccnc(COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H13F3N2O/c1-18-11-5-6-19-12(8-11)9-20-13-4-2-3-10(7-13)14(15,16)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyMPXLUYVPDLXRFR-UHFFFAOYSA-N
XLogP3.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 106907819
2-[[3-(trifluoromethyl)phenoxy]methyl]furan
CID 101055355
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63884627
2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine
CID 79250827
1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216049
2-chloro-4-[[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]oxy]pyridine
CID 18974771
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
2-[(4-butan-2-ylphenoxy)methyl]-N-methylpyridin-4-amine
CID 107668074
2-[[3-(trifluoromethyl)phenoxy]methyl]imidazo[1,2-a]pyridine
CID 117255739
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine (CID 79251088) is N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine is CNc1ccnc(COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine?
The InChIKey is MPXLUYVPDLXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-18-11-5-6-19-12(8-11)9-20-13-4-2-3-10(7-13)14(15,16)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine?
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine has a molecular weight of 282.27 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-4-amine is sourced from PubChem (CID 79251088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).