2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol

C17H21FN2O — CID 138052776

IUPAC2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol
SMILESCC(N)Cc1cc(-c2cc(N)ccc2CCO)ccc1F
InChIInChI=1S/C17H21FN2O/c1-11(19)8-14-9-13(3-5-17(14)18)16-10-15(20)4-2-12(16)6-7-21/h2-5,9-11,21H,6-8,19-20H2,1H3
InChIKeyUEEZLZOPFRVBHW-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.50
Rot. Bonds5

About 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol

2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol (PubChem CID 138052776) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol
PubChem CID138052776
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol
SMILESCC(N)Cc1cc(-c2cc(N)ccc2CCO)ccc1F
InChIInChI=1S/C17H21FN2O/c1-11(19)8-14-9-13(3-5-17(14)18)16-10-15(20)4-2-12(16)6-7-21/h2-5,9-11,21H,6-8,19-20H2,1H3
InChIKeyUEEZLZOPFRVBHW-UHFFFAOYSA-N
XLogP2.50
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol?
The IUPAC name of 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol (CID 138052776) is 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol?
The canonical SMILES for 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol is CC(N)Cc1cc(-c2cc(N)ccc2CCO)ccc1F.
What is the InChIKey of 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol?
The InChIKey is UEEZLZOPFRVBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11(19)8-14-9-13(3-5-17(14)18)16-10-15(20)4-2-12(16)6-7-21/h2-5,9-11,21H,6-8,19-20H2,1H3.
What are the key properties of 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol?
2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol has a molecular weight of 288.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[3-(2-aminopropyl)-4-fluorophenyl]phenyl]ethanol is sourced from PubChem (CID 138052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).