(2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol

C13H11ClFNO — CID 69315535

IUPAC(2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol
SMILESNc1cccc(Cl)c1C(O)c1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO/c14-10-2-1-3-11(16)12(10)13(17)8-4-6-9(15)7-5-8/h1-7,13,17H,16H2
InChIKeyHVIISJHUGWXANH-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.14
Rot. Bonds2

About (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol

(2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol (PubChem CID 69315535) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol
PubChem CID69315535
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name(2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol
SMILESNc1cccc(Cl)c1C(O)c1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO/c14-10-2-1-3-11(16)12(10)13(17)8-4-6-9(15)7-5-8/h1-7,13,17H,16H2
InChIKeyHVIISJHUGWXANH-UHFFFAOYSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.14
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-Aminobenzhydrol
CID 270810
2-Amino-5-chlorobenzhydrol
CID 2769707
(2-Amino-4-chlorophenyl)methanol
CID 4134900
(4-Amino-2-chlorophenyl)methanol
CID 25235954
(2-Amino-6-chlorophenyl)methanol
CID 21925574
2-Amino-3-[(4-chlorophenyl)hydroxymethyl]benzeneethanol
CID 13577662
1-(2-Amino-5-chlorophenyl)-1-phenylethanol
CID 102944
2-(2-Amino-4-chloro-5-fluorophenyl)propan-2-ol
CID 139377721
2-(2-Amino-6-chlorophenyl)ethanol
CID 713100
2-(2-Aminophenyl)-1-phenylethanol
CID 10353165
2-(4-Amino-3'-chloro-4'-fluoro-[1,1'-biphenyl]-3-yl)propan-2-ol
CID 135799862
(2-Amino-5-bromophenyl)(2-chlorophenyl)methanol
CID 2862032

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol (CID 69315535) is (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol is Nc1cccc(Cl)c1C(O)c1ccc(F)cc1.
What is the InChIKey of (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol?
The InChIKey is HVIISJHUGWXANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c14-10-2-1-3-11(16)12(10)13(17)8-4-6-9(15)7-5-8/h1-7,13,17H,16H2.
What are the key properties of (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol?
(2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol has a molecular weight of 251.69 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chlorophenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 69315535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).