1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol

C14H13F2NO — CID 64831592

IUPAC1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol
SMILESNc1ccccc1C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO/c15-10-5-6-12(16)9(7-10)8-14(18)11-3-1-2-4-13(11)17/h1-7,14,18H,8,17H2
InChIKeyXDXOAMORSMVDDC-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol

1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol (PubChem CID 64831592) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol
PubChem CID64831592
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol
SMILESNc1ccccc1C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO/c15-10-5-6-12(16)9(7-10)8-14(18)11-3-1-2-4-13(11)17/h1-7,14,18H,8,17H2
InChIKeyXDXOAMORSMVDDC-UHFFFAOYSA-N
XLogP2.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.82
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

2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethanol
CID 63083872
1-(2-chlorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 62099435
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609
2-(2,5-difluorophenyl)-1-naphthalen-2-ylethanol
CID 62716910
1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653460
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanol
CID 61086986
[2-(2,5-difluorophenyl)-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216778
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 82685676
(2-aminophenyl)-(2,4-difluorophenyl)methanol
CID 64833381
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol?
The IUPAC name of 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol (CID 64831592) is 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol is Nc1ccccc1C(O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol?
The InChIKey is XDXOAMORSMVDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-10-5-6-12(16)9(7-10)8-14(18)11-3-1-2-4-13(11)17/h1-7,14,18H,8,17H2.
What are the key properties of 1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol?
1-(2-aminophenyl)-2-(2,5-difluorophenyl)ethanol has a molecular weight of 249.26 g/mol, XLogP of 2.82, 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-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 64831592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).