3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine

C12H17F3N2O — CID 106013715

IUPAC3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OCCCCNc1nc(F)c(F)cc1F
InChIInChI=1S/C12H17F3N2O/c1-8(2)18-6-4-3-5-16-12-10(14)7-9(13)11(15)17-12/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyHQWOQCYDIIHJMP-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.12
Rot. Bonds7

About 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine

3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine (PubChem CID 106013715) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
PubChem CID106013715
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OCCCCNc1nc(F)c(F)cc1F
InChIInChI=1S/C12H17F3N2O/c1-8(2)18-6-4-3-5-16-12-10(14)7-9(13)11(15)17-12/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyHQWOQCYDIIHJMP-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine
CID 106223086
5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003891
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
4-chloro-5-fluoro-2-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106006982
2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012863
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine (CID 106013715) is 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine is CC(C)OCCCCNc1nc(F)c(F)cc1F.
What is the InChIKey of 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The InChIKey is HQWOQCYDIIHJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(2)18-6-4-3-5-16-12-10(14)7-9(13)11(15)17-12/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine has a molecular weight of 262.27 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine is sourced from PubChem (CID 106013715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).