1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol

C14H13Cl2NO — CID 106695721

IUPAC1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
SMILESNc1cccc(C(O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO/c15-11-5-4-9(13(16)8-11)7-14(18)10-2-1-3-12(17)6-10/h1-6,8,14,18H,7,17H2
InChIKeyRJIOGPIEHHRXHK-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.85
Rot. Bonds3

About 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol

1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol (PubChem CID 106695721) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
PubChem CID106695721
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
SMILESNc1cccc(C(O)Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H13Cl2NO/c15-11-5-4-9(13(16)8-11)7-14(18)10-2-1-3-12(17)6-10/h1-6,8,14,18H,7,17H2
InChIKeyRJIOGPIEHHRXHK-UHFFFAOYSA-N
XLogP3.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 55187922
2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10612074
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
[2-(2,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199352
2-(2,4-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79704311
2-(2,4-dichlorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 62796974
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
2-(2,4-dichlorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65146137
2-(2,4-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 63410917
1-(3-aminophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 106695951
2-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 65317239
2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol (CID 106695721) is 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol is Nc1cccc(C(O)Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol?
The InChIKey is RJIOGPIEHHRXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-11-5-4-9(13(16)8-11)7-14(18)10-2-1-3-12(17)6-10/h1-6,8,14,18H,7,17H2.
What are the key properties of 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol?
1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol has a molecular weight of 282.17 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 106695721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).