6-hexoxy-4-(trifluoromethyl)pyridin-2-amine

C12H17F3N2O — CID 102719653

IUPAC6-hexoxy-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCOc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C12H17F3N2O/c1-2-3-4-5-6-18-11-8-9(12(13,14)15)7-10(16)17-11/h7-8H,2-6H2,1H3,(H2,16,17)
InChIKeyNTDFKWGDGWJQKG-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.64
Rot. Bonds6

About 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine

6-hexoxy-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719653) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-hexoxy-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719653
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name6-hexoxy-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCCCCOc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C12H17F3N2O/c1-2-3-4-5-6-18-11-8-9(12(13,14)15)7-10(16)17-11/h7-8H,2-6H2,1H3,(H2,16,17)
InChIKeyNTDFKWGDGWJQKG-UHFFFAOYSA-N
XLogP3.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.64
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

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-ol
CID 102719752
6-but-3-ynoxy-4-(trifluoromethyl)pyridin-2-amine
CID 106795472
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
3-pentoxy-5-(trifluoromethyl)aniline
CID 82995842
4-(trifluoromethyl)-6-(1,1,1-trifluoropropan-2-yloxy)pyridin-2-amine
CID 102720032
6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 113401616
2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine
CID 114561993
6-butoxy-4-chloropyridin-2-amine
CID 58278129
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
6-(2,6-dimethyloxan-4-yl)oxy-4-(trifluoromethyl)pyridin-2-amine
CID 102720096
4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566154
6-(3,3-dimethylbutoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720042

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine (CID 102719653) is 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine is CCCCCCOc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NTDFKWGDGWJQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-3-4-5-6-18-11-8-9(12(13,14)15)7-10(16)17-11/h7-8H,2-6H2,1H3,(H2,16,17).
What are the key properties of 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine?
6-hexoxy-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).