1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol

C14H13ClFNO — CID 112653460

IUPAC1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESNc1ccccc1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H13ClFNO/c15-14-9(4-3-6-11(14)16)8-13(18)10-5-1-2-7-12(10)17/h1-7,13,18H,8,17H2
InChIKeyQGVYNCXUFUGCBE-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.34
Rot. Bonds3

About 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol

1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol (PubChem CID 112653460) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
PubChem CID112653460
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
SMILESNc1ccccc1C(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H13ClFNO/c15-14-9(4-3-6-11(14)16)8-13(18)10-5-1-2-7-12(10)17/h1-7,13,18H,8,17H2
InChIKeyQGVYNCXUFUGCBE-UHFFFAOYSA-N
XLogP3.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.34
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-tert-butylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115831158
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
2-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)ethanol
CID 82802842
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
2-(2,3-dichlorophenyl)-1-(2,3-difluorophenyl)ethanol
CID 107307471
1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64831592
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol
CID 105124141
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
2-(2-chloro-3-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105124053

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol (CID 112653460) is 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol is Nc1ccccc1C(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
The InChIKey is QGVYNCXUFUGCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-14-9(4-3-6-11(14)16)8-13(18)10-5-1-2-7-12(10)17/h1-7,13,18H,8,17H2.
What are the key properties of 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol?
1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol has a molecular weight of 265.72 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 112653460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).