N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine

C10H13F3N2O — CID 91190287

IUPACN-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOC(C)CNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-7(16-2)6-14-9-5-3-4-8(15-9)10(11,12)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBUQAVLXZMXUOPQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.55
Rot. Bonds4

About N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine

N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 91190287) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID91190287
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC NameN-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCOC(C)CNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-7(16-2)6-14-9-5-3-4-8(15-9)10(11,12)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyBUQAVLXZMXUOPQ-UHFFFAOYSA-N
XLogP2.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine (CID 91190287) is N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine is COC(C)CNc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BUQAVLXZMXUOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(16-2)6-14-9-5-3-4-8(15-9)10(11,12)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 234.22 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 91190287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).