2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol

C10H15F2N3O — CID 107495109

IUPAC2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
SMILESCNc1cc(N(CCO)CC(F)F)ccn1
InChIInChI=1S/C10H15F2N3O/c1-13-10-6-8(2-3-14-10)15(4-5-16)7-9(11)12/h2-3,6,9,16H,4-5,7H2,1H3,(H,13,14)
InChIKeyXOSHXJKNHDHXSD-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.19
Rot. Bonds6

About 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol

2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol (PubChem CID 107495109) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
PubChem CID107495109
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
SMILESCNc1cc(N(CCO)CC(F)F)ccn1
InChIInChI=1S/C10H15F2N3O/c1-13-10-6-8(2-3-14-10)15(4-5-16)7-9(11)12/h2-3,6,9,16H,4-5,7H2,1H3,(H,13,14)
InChIKeyXOSHXJKNHDHXSD-UHFFFAOYSA-N
XLogP1.19
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(2-ethylbutyl)-2-N-methylpyridine-2,4-diamine
CID 113367600
2-[N-(2,2-difluoroethyl)-4-(methylaminomethyl)anilino]ethanol
CID 107481444
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
CID 107480460
2-[4-[(tert-butylamino)methyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107481467
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
4-N-ethyl-2-N-methyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-diamine
CID 113367608
2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol
CID 107481421
2-[2,2-difluoroethyl-[6-[1-(ethylamino)propyl]-3-pyridinyl]amino]ethanol
CID 107480571
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine
CID 107494035
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol (CID 107495109) is 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol is CNc1cc(N(CCO)CC(F)F)ccn1.
What is the InChIKey of 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol?
The InChIKey is XOSHXJKNHDHXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-13-10-6-8(2-3-14-10)15(4-5-16)7-9(11)12/h2-3,6,9,16H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol?
2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol has a molecular weight of 231.25 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol is sourced from PubChem (CID 107495109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).