N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

C11H15F3N2O — CID 62463881

IUPACN-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESCCCNc1cc(COCC(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2O/c1-2-4-15-10-6-9(3-5-16-10)7-17-8-11(12,13)14/h3,5-6H,2,4,7-8H2,1H3,(H,15,16)
InChIKeyQMAATZRXJUQWLM-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.98
Rot. Bonds6

About N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (PubChem CID 62463881) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
PubChem CID62463881
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESCCCNc1cc(COCC(F)(F)F)ccn1
InChIInChI=1S/C11H15F3N2O/c1-2-4-15-10-6-9(3-5-16-10)7-17-8-11(12,13)14/h3,5-6H,2,4,7-8H2,1H3,(H,15,16)
InChIKeyQMAATZRXJUQWLM-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-N-propylpyridin-2-amine
CID 112589451
4-(2-methoxyethoxymethyl)-N-propylpyridin-2-amine
CID 62466363
4-(2-cyclobutylethoxymethyl)-N-propylpyridin-2-amine
CID 114157922
4-[(3,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62786008
4-(furan-2-ylmethoxymethyl)-N-propylpyridin-2-amine
CID 62464220
4-(pentan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 102985121
4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62465810
2-chloro-4-(2,2,2-trifluoroethoxymethyl)pyridine
CID 62470096
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-[(4-bromo-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 83140667
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
N-methyl-4-(propoxymethyl)pyridin-2-amine
CID 62466206

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The IUPAC name of N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (CID 62463881) is N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.
What is the SMILES notation for N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The canonical SMILES for N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is CCCNc1cc(COCC(F)(F)F)ccn1.
What is the InChIKey of N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The InChIKey is QMAATZRXJUQWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-2-4-15-10-6-9(3-5-16-10)7-17-8-11(12,13)14/h3,5-6H,2,4,7-8H2,1H3,(H,15,16).
What are the key properties of N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine has a molecular weight of 248.25 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 62463881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).