2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol

C14H23F2N3O — CID 107480571

IUPAC2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
SMILESCCNC(CC)c1ccc(N(CCO)CC(F)F)cn1
InChIInChI=1S/C14H23F2N3O/c1-3-12(17-4-2)13-6-5-11(9-18-13)19(7-8-20)10-14(15)16/h5-6,9,12,14,17,20H,3-4,7-8,10H2,1-2H3
InChIKeyOBHIMNZREFCGMK-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.21
Rot. Bonds9

About 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol

2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol (PubChem CID 107480571) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
PubChem CID107480571
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
SMILESCCNC(CC)c1ccc(N(CCO)CC(F)F)cn1
InChIInChI=1S/C14H23F2N3O/c1-3-12(17-4-2)13-6-5-11(9-18-13)19(7-8-20)10-14(15)16/h5-6,9,12,14,17,20H,3-4,7-8,10H2,1-2H3
InChIKeyOBHIMNZREFCGMK-UHFFFAOYSA-N
XLogP2.21
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 115939424
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388
N'-ethyl-N'-[6-[1-(ethylamino)propyl]-3-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102994077
6-[1-(ethylamino)propyl]-N-prop-2-enyl-N-propylpyridin-3-amine
CID 112584559
N-ethyl-6-[1-(ethylamino)propyl]-N-prop-2-ynylpyridin-3-amine
CID 112584544
6-[1-(ethylamino)propyl]-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 112584276
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
2-[methyl-[6-[1-(methylamino)propyl]-3-pyridinyl]amino]ethanol
CID 112584231
N-cyclopropyl-6-[1-(ethylamino)propyl]-N-(3-methylbutyl)pyridin-3-amine
CID 115939457

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol (CID 107480571) is 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol is CCNC(CC)c1ccc(N(CCO)CC(F)F)cn1.
What is the InChIKey of 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol?
The InChIKey is OBHIMNZREFCGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-3-12(17-4-2)13-6-5-11(9-18-13)19(7-8-20)10-14(15)16/h5-6,9,12,14,17,20H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol?
2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol has a molecular weight of 287.35 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 107480571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).