1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol

C15H24FNO2 — CID 60898374

IUPAC1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNc1ccc(F)cc1
InChIInChI=1S/C15H24FNO2/c1-12(2)4-3-9-19-11-15(18)10-17-14-7-5-13(16)6-8-14/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3
InChIKeySWHPTSRNESHKES-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.05
Rot. Bonds9

About 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol

1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol (PubChem CID 60898374) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol
PubChem CID60898374
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNc1ccc(F)cc1
InChIInChI=1S/C15H24FNO2/c1-12(2)4-3-9-19-11-15(18)10-17-14-7-5-13(16)6-8-14/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3
InChIKeySWHPTSRNESHKES-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol (CID 60898374) is 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol is CC(C)CCCOCC(O)CNc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is SWHPTSRNESHKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-12(2)4-3-9-19-11-15(18)10-17-14-7-5-13(16)6-8-14/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol?
1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 60898374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).