2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol

C9H22FN3O — CID 143969007

IUPAC2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol
SMILESCCN(CCNCCO)C(N)C(C)F
InChIInChI=1S/C9H22FN3O/c1-3-13(9(11)8(2)10)6-4-12-5-7-14/h8-9,12,14H,3-7,11H2,1-2H3
InChIKeyLXTKYKHKNJPPCJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.47
Rot. Bonds8

About 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol

2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol (PubChem CID 143969007) has the molecular formula C9H22FN3O and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol
PubChem CID143969007
Molecular FormulaC9H22FN3O
Molecular Weight207.29 g/mol
Exact Mass207.17
IUPAC Name2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol
SMILESCCN(CCNCCO)C(N)C(C)F
InChIInChI=1S/C9H22FN3O/c1-3-13(9(11)8(2)10)6-4-12-5-7-14/h8-9,12,14H,3-7,11H2,1-2H3
InChIKeyLXTKYKHKNJPPCJ-UHFFFAOYSA-N
XLogP-0.47
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-Fluoroethylamino)ethyl-methylamino]ethanol
CID 172334318
2-[2-(3-Fluoropropylamino)ethyl-methylamino]ethanol
CID 172335234
2-[2-(2-Fluoroethylamino)ethyl-propan-2-ylamino]ethanol
CID 176601624
3-Hydroxyethyl-1,3,5,8,12-pentaazacyclotetradecane
CID 11081665
3-{[2-(Diethylamino)ethyl]amino}-1,1,1-trifluoropropan-2-ol
CID 63900028
3-[2-[Ethyl(methyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63900879
3-[2-(Diethylamino)ethylamino]-1,1-difluoropropan-2-ol
CID 105645182
3-[2-[Ethyl(propyl)amino]ethylamino]-1,1,1-trifluoropropan-2-ol
CID 105961314
2-[2,2-Difluoroethyl-[2-(propylamino)ethyl]amino]ethanol
CID 107484762
2-[2-(Propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
2-[1-Aminopropyl(ethyl)amino]ethanol
CID 18000427
1-Aminopropyl-(2-hydroxyethyl)-dimethylazanium
CID 19020163

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol?
The IUPAC name of 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol (CID 143969007) is 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol?
The canonical SMILES for 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol is CCN(CCNCCO)C(N)C(C)F.
What is the InChIKey of 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol?
The InChIKey is LXTKYKHKNJPPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22FN3O/c1-3-13(9(11)8(2)10)6-4-12-5-7-14/h8-9,12,14H,3-7,11H2,1-2H3.
What are the key properties of 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol?
2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol has a molecular weight of 207.29 g/mol, XLogP of -0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol is sourced from PubChem (CID 143969007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).