2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol

C15H15ClFNO — CID 135799862

IUPAC2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(F)c(Cl)c2)ccc1N
InChIInChI=1S/C15H15ClFNO/c1-15(2,19)11-7-9(4-6-14(11)18)10-3-5-13(17)12(16)8-10/h3-8,19H,18H2,1-2H3
InChIKeyCRBGCFRSIAOPSZ-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.96
Rot. Bonds2

About 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol

2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol (PubChem CID 135799862) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol
PubChem CID135799862
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2ccc(F)c(Cl)c2)ccc1N
InChIInChI=1S/C15H15ClFNO/c1-15(2,19)11-7-9(4-6-14(11)18)10-3-5-13(17)12(16)8-10/h3-8,19H,18H2,1-2H3
InChIKeyCRBGCFRSIAOPSZ-UHFFFAOYSA-N
XLogP3.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol (CID 135799862) is 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol is CC(C)(O)c1cc(-c2ccc(F)c(Cl)c2)ccc1N.
What is the InChIKey of 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol?
The InChIKey is CRBGCFRSIAOPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-15(2,19)11-7-9(4-6-14(11)18)10-3-5-13(17)12(16)8-10/h3-8,19H,18H2,1-2H3.
What are the key properties of 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol?
2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol has a molecular weight of 279.74 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(3-chloro-4-fluorophenyl)phenyl]propan-2-ol is sourced from PubChem (CID 135799862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).