1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol

C14H12Cl2FNO — CID 82685676

IUPAC1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-9-1-3-12(16)8(5-9)6-14(19)11-7-10(17)2-4-13(11)18/h1-5,7,14,19H,6,18H2
InChIKeyPBWZRPMACUCKIR-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.99
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol

1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol (PubChem CID 82685676) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
PubChem CID82685676
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
SMILESNc1ccc(F)cc1C(O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-9-1-3-12(16)8(5-9)6-14(19)11-7-10(17)2-4-13(11)18/h1-5,7,14,19H,6,18H2
InChIKeyPBWZRPMACUCKIR-UHFFFAOYSA-N
XLogP3.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64831592
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol (CID 82685676) is 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol is Nc1ccc(F)cc1C(O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
The InChIKey is PBWZRPMACUCKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-9-1-3-12(16)8(5-9)6-14(19)11-7-10(17)2-4-13(11)18/h1-5,7,14,19H,6,18H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol?
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol has a molecular weight of 300.16 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol is sourced from PubChem (CID 82685676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).