(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol

C16H18FNO2 — CID 164683922

IUPAC(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol
SMILESCC([C@@H](O)c1ccc(F)cc1)N(O)Cc1ccccc1
InChIInChI=1S/C16H18FNO2/c1-12(16(19)14-7-9-15(17)10-8-14)18(20)11-13-5-3-2-4-6-13/h2-10,12,16,19-20H,11H2,1H3/t12?,16-/m1/s1
InChIKeyRXJIKOCIFDMNOX-PVQCJRHBSA-N
MW275.32 g/mol
LogP3.14
Rot. Bonds5

About (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol

(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol (PubChem CID 164683922) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol
PubChem CID164683922
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol
SMILESCC([C@@H](O)c1ccc(F)cc1)N(O)Cc1ccccc1
InChIInChI=1S/C16H18FNO2/c1-12(16(19)14-7-9-15(17)10-8-14)18(20)11-13-5-3-2-4-6-13/h2-10,12,16,19-20H,11H2,1H3/t12?,16-/m1/s1
InChIKeyRXJIKOCIFDMNOX-PVQCJRHBSA-N
XLogP3.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol (CID 164683922) is (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol is CC([C@@H](O)c1ccc(F)cc1)N(O)Cc1ccccc1.
What is the InChIKey of (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is RXJIKOCIFDMNOX-PVQCJRHBSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12(16(19)14-7-9-15(17)10-8-14)18(20)11-13-5-3-2-4-6-13/h2-10,12,16,19-20H,11H2,1H3/t12?,16-/m1/s1.
What are the key properties of (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol?
(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 275.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 164683922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).