2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol

C10H15F2N3O — CID 107478427

IUPAC2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1cccnc1N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N3O/c11-9(12)7-15(4-5-16)10-8(6-13)2-1-3-14-10/h1-3,9,16H,4-7,13H2
InChIKeyMCIFHYRQSDLQKI-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.60
Rot. Bonds6

About 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol

2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478427) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478427
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1cccnc1N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N3O/c11-9(12)7-15(4-5-16)10-8(6-13)2-1-3-14-10/h1-3,9,16H,4-7,13H2
InChIKeyMCIFHYRQSDLQKI-UHFFFAOYSA-N
XLogP0.60
TPSA62.38 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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 107480051
2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
CID 107478449
N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494126
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
2-[[3-(aminomethyl)-2-pyridinyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922923
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 107489652
3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrazin-2-one
CID 107484278
2-[2-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107479418

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478427) is 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol is NCc1cccnc1N(CCO)CC(F)F.
What is the InChIKey of 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is MCIFHYRQSDLQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-9(12)7-15(4-5-16)10-8(6-13)2-1-3-14-10/h1-3,9,16H,4-7,13H2.
What are the key properties of 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 231.25 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).