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

C12H18F2N2O — CID 106012540

IUPAC3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OCCCCNc1ncc(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyJSYZMBZHEAYGLK-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.98
Rot. Bonds7

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

3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine (PubChem CID 106012540) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
PubChem CID106012540
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OCCCCNc1ncc(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyJSYZMBZHEAYGLK-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.98
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

5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003891
3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013715
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
CID 112675793
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine
CID 106243313
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine (CID 106012540) is 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine is CC(C)OCCCCNc1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The InChIKey is JSYZMBZHEAYGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine has a molecular weight of 244.28 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine is sourced from PubChem (CID 106012540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).