N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine

C15H23F3N2O — CID 102719634

IUPACN-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCC(C)Oc1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C15H23F3N2O/c1-4-5-6-7-8-11(2)21-14-10-12(15(16,17)18)9-13(19-3)20-14/h9-11H,4-8H2,1-3H3,(H,19,20)
InChIKeyBHBNYTHQFSZZJD-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.88
Rot. Bonds8

About N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine

N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719634) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719634
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCC(C)Oc1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C15H23F3N2O/c1-4-5-6-7-8-11(2)21-14-10-12(15(16,17)18)9-13(19-3)20-14/h9-11H,4-8H2,1-3H3,(H,19,20)
InChIKeyBHBNYTHQFSZZJD-UHFFFAOYSA-N
XLogP4.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-methoxypropan-2-yloxy)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719982
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
6-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719983
N-methyl-6-(2-propoxyethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719988
6-(4-methylpentoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719649
N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 102989343
4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
CID 80862136
N-ethyl-6-octan-2-yloxypyrazin-2-amine
CID 80861950
4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387
6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719521

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine (CID 102719634) is N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine is CCCCCCC(C)Oc1cc(C(F)(F)F)cc(NC)n1.
What is the InChIKey of N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BHBNYTHQFSZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-4-5-6-7-8-11(2)21-14-10-12(15(16,17)18)9-13(19-3)20-14/h9-11H,4-8H2,1-3H3,(H,19,20).
What are the key properties of N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine?
N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 304.36 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).