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

C16H16Cl2FNO — CID 60980063

IUPAC1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
SMILESCC(NCC(O)c1cc(Cl)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C16H16Cl2FNO/c1-10(11-3-2-4-13(19)7-11)20-9-16(21)14-8-12(17)5-6-15(14)18/h2-8,10,16,20-21H,9H2,1H3
InChIKeyMKJJCVICKRHZHH-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.52
Rot. Bonds5

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

1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol (PubChem CID 60980063) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
PubChem CID60980063
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol
SMILESCC(NCC(O)c1cc(Cl)ccc1Cl)c1cccc(F)c1
InChIInChI=1S/C16H16Cl2FNO/c1-10(11-3-2-4-13(19)7-11)20-9-16(21)14-8-12(17)5-6-15(14)18/h2-8,10,16,20-21H,9H2,1H3
InChIKeyMKJJCVICKRHZHH-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-(2,5-dichlorophenyl)ethanol
CID 81355780
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
CID 60900214
1-[1-(3-chlorophenyl)ethylamino]propan-2-ol
CID 43499317
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
CID 81382557
1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355439
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103258732
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol (CID 60980063) is 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol is CC(NCC(O)c1cc(Cl)ccc1Cl)c1cccc(F)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol?
The InChIKey is MKJJCVICKRHZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-10(11-3-2-4-13(19)7-11)20-9-16(21)14-8-12(17)5-6-15(14)18/h2-8,10,16,20-21H,9H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol?
1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol has a molecular weight of 328.21 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[1-(3-fluorophenyl)ethylamino]ethanol is sourced from PubChem (CID 60980063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).