2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol

C9H21FN2O — CID 176601624

IUPAC2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCNCCF
InChIInChI=1S/C9H21FN2O/c1-9(2)12(7-8-13)6-5-11-4-3-10/h9,11,13H,3-8H2,1-2H3
InChIKeyMXTVDOTVZHPPRY-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.25
Rot. Bonds8

About 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol

2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol (PubChem CID 176601624) has the molecular formula C9H21FN2O and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol
PubChem CID176601624
Molecular FormulaC9H21FN2O
Molecular Weight192.28 g/mol
Exact Mass192.16
IUPAC Name2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCNCCF
InChIInChI=1S/C9H21FN2O/c1-9(2)12(7-8-13)6-5-11-4-3-10/h9,11,13H,3-8H2,1-2H3
InChIKeyMXTVDOTVZHPPRY-UHFFFAOYSA-N
XLogP0.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-((2-(Diethylamino)ethyl)amino)ethanol
CID 98797
2-((2-Amino-1-methylethyl)amino)ethanol
CID 61487
2-((2-(Dimethylamino)ethyl)amino)ethanol
CID 546919
2-[2-(Sec-butylamino)ethylamino]butan-1-ol
CID 470075
2-[2-[(2-Hydroxy-1-methyl-ethyl)amino]ethylamino]propan-1-ol
CID 470081
(2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]-methyl-amino]ethylamino]butan-1-ol
CID 3000886
2-[(2R,6S)-2,6-dimethylpiperazin-1-yl]ethan-1-ol
CID 93500290
2-(2-Diethylaminoethylamino)butan-1-ol
CID 469919
2-[Ethyl-[2-(isopropylamino)ethyl]amino]butan-1-ol
CID 469924
1-Butanol, 2-[[2-[(1-methylethyl)amino]ethyl]amino]-
CID 470017
(2s)-2-[2-[[(1r)-2-Hydroxy-1-methyl-ethyl]amino]ethylamino]propan-1-ol
CID 470082
(2S)-2-({2-[((1S)-2-Hydroxy-isopropyl)amino]ethyl}amino)propan-1-ol
CID 5482418

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol (CID 176601624) is 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CCNCCF.
What is the InChIKey of 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol?
The InChIKey is MXTVDOTVZHPPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN2O/c1-9(2)12(7-8-13)6-5-11-4-3-10/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol?
2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol has a molecular weight of 192.28 g/mol, XLogP of 0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethylamino)ethyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 176601624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).