N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine

C12H16F4N2O — CID 55075103

IUPACN-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
SMILESCCCNc1ncccc1COCC(F)(F)C(F)F
InChIInChI=1S/C12H16F4N2O/c1-2-5-17-10-9(4-3-6-18-10)7-19-8-12(15,16)11(13)14/h3-4,6,11H,2,5,7-8H2,1H3,(H,17,18)
InChIKeyOZEVNQMALWLLRD-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.32
Rot. Bonds8

About N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine

N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine (PubChem CID 55075103) has the molecular formula C12H16F4N2O and a molecular weight of 280.26 g/mol. Its IUPAC name is N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
PubChem CID55075103
Molecular FormulaC12H16F4N2O
Molecular Weight280.26 g/mol
Exact Mass280.12
IUPAC NameN-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
SMILESCCCNc1ncccc1COCC(F)(F)C(F)F
InChIInChI=1S/C12H16F4N2O/c1-2-5-17-10-9(4-3-6-18-10)7-19-8-12(15,16)11(13)14/h3-4,6,11H,2,5,7-8H2,1H3,(H,17,18)
InChIKeyOZEVNQMALWLLRD-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 65125822
3-[3-(2-methoxyethoxy)propoxymethyl]-N-propylpyridin-2-amine
CID 103405422
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methyl]propan-2-amine
CID 62455254
3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
CID 55075630
3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 107660665
3-[(3-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62465500
3-(3,3-dimethylbutoxymethyl)-N-ethylpyridin-2-amine
CID 66224548
3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63486701
3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 63965599
[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 62467832

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine?
The IUPAC name of N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine (CID 55075103) is N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine.
What is the SMILES notation for N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine?
The canonical SMILES for N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine is CCCNc1ncccc1COCC(F)(F)C(F)F.
What is the InChIKey of N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine?
The InChIKey is OZEVNQMALWLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-2-5-17-10-9(4-3-6-18-10)7-19-8-12(15,16)11(13)14/h3-4,6,11H,2,5,7-8H2,1H3,(H,17,18).
What are the key properties of N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine?
N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine has a molecular weight of 280.26 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine is sourced from PubChem (CID 55075103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).