3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine

C12H18F2N2O — CID 112675793

IUPAC3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
SMILESCC(C)CCOCCNc1ncc(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-9(2)3-5-17-6-4-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyXQLGBDXMSWKRBP-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.83
Rot. Bonds7

About 3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine

3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine (PubChem CID 112675793) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
PubChem CID112675793
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
SMILESCC(C)CCOCCNc1ncc(F)cc1F
InChIInChI=1S/C12H18F2N2O/c1-9(2)3-5-17-6-4-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyXQLGBDXMSWKRBP-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine
CID 106243313
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
3,5-difluoro-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113325255
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
N-(3,5-difluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112676237
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
2-[(3,5-difluoro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337617
3,4-dichloro-N-[2-(3-methylbutoxy)ethyl]aniline
CID 63490012

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine (CID 112675793) is 3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine is CC(C)CCOCCNc1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine?
The InChIKey is XQLGBDXMSWKRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-9(2)3-5-17-6-4-15-12-11(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-[2-(3-methylbutoxy)ethyl]pyridin-2-amine?
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine has a molecular weight of 244.28 g/mol, XLogP of 2.83, 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-[2-(3-methylbutoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 112675793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).