2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol

C17H19ClFNO — CID 63064968

IUPAC2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol
SMILESCC(Cc1ccccc1Cl)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C17H19ClFNO/c1-11(9-13-5-3-4-6-16(13)18)20-12(2)15-8-7-14(19)10-17(15)21/h3-8,10-12,20-21H,9H2,1-2H3
InChIKeyMYECYGIIQGUYHA-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.47
Rot. Bonds5

About 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol

2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol (PubChem CID 63064968) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol
PubChem CID63064968
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol
SMILESCC(Cc1ccccc1Cl)NC(C)c1ccc(F)cc1O
InChIInChI=1S/C17H19ClFNO/c1-11(9-13-5-3-4-6-16(13)18)20-12(2)15-8-7-14(19)10-17(15)21/h3-8,10-12,20-21H,9H2,1-2H3
InChIKeyMYECYGIIQGUYHA-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol (CID 63064968) is 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol is CC(Cc1ccccc1Cl)NC(C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol?
The InChIKey is MYECYGIIQGUYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-11(9-13-5-3-4-6-16(13)18)20-12(2)15-8-7-14(19)10-17(15)21/h3-8,10-12,20-21H,9H2,1-2H3.
What are the key properties of 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol?
2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol has a molecular weight of 307.80 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-chlorophenyl)propan-2-ylamino]ethyl]-5-fluorophenol is sourced from PubChem (CID 63064968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).