1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol

C16H16F3NO — CID 60908570

IUPAC1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol
SMILESOC(CNCCc1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F3NO/c17-12-3-1-2-11(8-12)6-7-20-10-16(21)14-9-13(18)4-5-15(14)19/h1-5,8-9,16,20-21H,6-7,10H2
InChIKeyLIRYYJNQBYSFDJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.97
Rot. Bonds6

About 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol

1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol (PubChem CID 60908570) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol
PubChem CID60908570
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol
SMILESOC(CNCCc1cccc(F)c1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F3NO/c17-12-3-1-2-11(8-12)6-7-20-10-16(21)14-9-13(18)4-5-15(14)19/h1-5,8-9,16,20-21H,6-7,10H2
InChIKeyLIRYYJNQBYSFDJ-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194
1-(2,5-difluorophenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106400706
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
CID 60900214
6-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]hexanoic acid
CID 82316123
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
1-(2,5-difluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905559
1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol
CID 82944241
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol (CID 60908570) is 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol is OC(CNCCc1cccc(F)c1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol?
The InChIKey is LIRYYJNQBYSFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-12-3-1-2-11(8-12)6-7-20-10-16(21)14-9-13(18)4-5-15(14)19/h1-5,8-9,16,20-21H,6-7,10H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol?
1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol has a molecular weight of 295.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol is sourced from PubChem (CID 60908570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).