2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol

C14H23F2N3O — CID 106258505

IUPAC2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol
SMILESCCNc1nc(NCC(CC)(CC)CO)c(F)cc1F
InChIInChI=1S/C14H23F2N3O/c1-4-14(5-2,9-20)8-18-13-11(16)7-10(15)12(19-13)17-6-3/h7,20H,4-6,8-9H2,1-3H3,(H2,17,18,19)
InChIKeyQKJBRLRHFAEYTB-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.00
Rot. Bonds8

About 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol

2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol (PubChem CID 106258505) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol
PubChem CID106258505
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol
SMILESCCNc1nc(NCC(CC)(CC)CO)c(F)cc1F
InChIInChI=1S/C14H23F2N3O/c1-4-14(5-2,9-20)8-18-13-11(16)7-10(15)12(19-13)17-6-3/h7,20H,4-6,8-9H2,1-3H3,(H2,17,18,19)
InChIKeyQKJBRLRHFAEYTB-UHFFFAOYSA-N
XLogP3.00
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
2-ethyl-2-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]butan-1-ol
CID 106258388
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106258224
2-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]-3-methoxypropan-1-ol
CID 106198697
5-[[3,5-difluoro-6-(propylamino)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106150078
2-[(3,5-dimethylanilino)methyl]-2-ethylbutan-1-ol
CID 81411803
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366489
5-[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]pentanamide
CID 106241605
2-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257443
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114150408
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol (CID 106258505) is 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol is CCNc1nc(NCC(CC)(CC)CO)c(F)cc1F.
What is the InChIKey of 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol?
The InChIKey is QKJBRLRHFAEYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-4-14(5-2,9-20)8-18-13-11(16)7-10(15)12(19-13)17-6-3/h7,20H,4-6,8-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol?
2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol has a molecular weight of 287.35 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[6-(ethylamino)-3,5-difluoro-2-pyridinyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 106258505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).