2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol

C16H16Cl2FNO — CID 60714746

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCCc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H16Cl2FNO/c17-13-4-1-11(15(18)9-13)7-8-20-10-16(21)12-2-5-14(19)6-3-12/h1-6,9,16,20-21H,7-8,10H2
InChIKeyXATJKYSWBNRGKS-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.00
Rot. Bonds6

About 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol

2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 60714746) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
PubChem CID60714746
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CNCCc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H16Cl2FNO/c17-13-4-1-11(15(18)9-13)7-8-20-10-16(21)12-2-5-14(19)6-3-12/h1-6,9,16,20-21H,7-8,10H2
InChIKeyXATJKYSWBNRGKS-UHFFFAOYSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.00
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-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
2-amino-3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 115120876
1-[2-(2,4-dichlorophenyl)ethylamino]-3-(dimethylamino)propan-2-ol
CID 60897738
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 109006915
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2-[(2-chloro-4-fluorophenyl)methylamino]-1-phenylethanol
CID 43393572
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
2-(2,5-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 110910978
1-[2-(2,4-dichlorophenyl)ethylamino]-3-ethoxypropan-2-ol
CID 63934394

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol (CID 60714746) is 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol is OC(CNCCc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is XATJKYSWBNRGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c17-13-4-1-11(15(18)9-13)7-8-20-10-16(21)12-2-5-14(19)6-3-12/h1-6,9,16,20-21H,7-8,10H2.
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol?
2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 328.21 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 60714746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).