2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol

C13H20F2N2O — CID 114059481

IUPAC2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol
SMILESCCN(CCO)CCC(N)c1cccc(F)c1F
InChIInChI=1S/C13H20F2N2O/c1-2-17(8-9-18)7-6-12(16)10-4-3-5-11(14)13(10)15/h3-5,12,18H,2,6-9,16H2,1H3
InChIKeyRKIBQFXMFFRPOL-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.67
Rot. Bonds7

About 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol

2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol (PubChem CID 114059481) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol
PubChem CID114059481
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol
SMILESCCN(CCO)CCC(N)c1cccc(F)c1F
InChIInChI=1S/C13H20F2N2O/c1-2-17(8-9-18)7-6-12(16)10-4-3-5-11(14)13(10)15/h3-5,12,18H,2,6-9,16H2,1H3
InChIKeyRKIBQFXMFFRPOL-UHFFFAOYSA-N
XLogP1.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
N',N'-diethyl-1-(2,3,4-trifluorophenyl)propane-1,3-diamine
CID 79087025
4-amino-4-(2,3-difluorophenyl)butan-1-ol
CID 170171841
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
(1R)-1-(2,3-difluorophenyl)butane-1,4-diamine
CID 171204126
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
CID 83125861
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171204140

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol?
The IUPAC name of 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol (CID 114059481) is 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol is CCN(CCO)CCC(N)c1cccc(F)c1F.
What is the InChIKey of 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol?
The InChIKey is RKIBQFXMFFRPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-2-17(8-9-18)7-6-12(16)10-4-3-5-11(14)13(10)15/h3-5,12,18H,2,6-9,16H2,1H3.
What are the key properties of 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol?
2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol has a molecular weight of 258.31 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-3-(2,3-difluorophenyl)propyl]-ethylamino]ethanol is sourced from PubChem (CID 114059481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).