1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol

C11H17F2N3O — CID 114094092

IUPAC1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
SMILESCCCNc1cc(NCC(O)C(F)F)ccn1
InChIInChI=1S/C11H17F2N3O/c1-2-4-14-10-6-8(3-5-15-10)16-7-9(17)11(12)13/h3,5-6,9,11,17H,2,4,7H2,1H3,(H2,14,15,16)
InChIKeyDKUJMADUSPPEHE-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.94
Rot. Bonds7

About 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol

1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol (PubChem CID 114094092) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
PubChem CID114094092
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
SMILESCCCNc1cc(NCC(O)C(F)F)ccn1
InChIInChI=1S/C11H17F2N3O/c1-2-4-14-10-6-8(3-5-15-10)16-7-9(17)11(12)13/h3,5-6,9,11,17H,2,4,7H2,1H3,(H2,14,15,16)
InChIKeyDKUJMADUSPPEHE-UHFFFAOYSA-N
XLogP1.94
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 113484591
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 113367923
3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide
CID 113367731
2-methyl-N-propylpyridin-4-amine
CID 79240818
4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106041619
4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
CID 114185489
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol (CID 114094092) is 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol is CCCNc1cc(NCC(O)C(F)F)ccn1.
What is the InChIKey of 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol?
The InChIKey is DKUJMADUSPPEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-2-4-14-10-6-8(3-5-15-10)16-7-9(17)11(12)13/h3,5-6,9,11,17H,2,4,7H2,1H3,(H2,14,15,16).
What are the key properties of 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol?
1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol has a molecular weight of 245.27 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 114094092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).