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

C18H22FNO2 — CID 164683952

IUPAC(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol
SMILESCCCC([C@@H](O)c1ccc(F)cc1)N(O)Cc1ccccc1
InChIInChI=1S/C18H22FNO2/c1-2-6-17(18(21)15-9-11-16(19)12-10-15)20(22)13-14-7-4-3-5-8-14/h3-5,7-12,17-18,21-22H,2,6,13H2,1H3/t17?,18-/m0/s1
InChIKeyXRFMXSGXSNSVSU-ZVAWYAOSSA-N
MW303.38 g/mol
LogP3.92
Rot. Bonds7

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

(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol (PubChem CID 164683952) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol
PubChem CID164683952
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol
SMILESCCCC([C@@H](O)c1ccc(F)cc1)N(O)Cc1ccccc1
InChIInChI=1S/C18H22FNO2/c1-2-6-17(18(21)15-9-11-16(19)12-10-15)20(22)13-14-7-4-3-5-8-14/h3-5,7-12,17-18,21-22H,2,6,13H2,1H3/t17?,18-/m0/s1
InChIKeyXRFMXSGXSNSVSU-ZVAWYAOSSA-N
XLogP3.92
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.92
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)pentan-1-ol?
The IUPAC name of (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol (CID 164683952) is (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol.
What is the SMILES notation for (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol?
The canonical SMILES for (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol is CCCC([C@@H](O)c1ccc(F)cc1)N(O)Cc1ccccc1.
What is the InChIKey of (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol?
The InChIKey is XRFMXSGXSNSVSU-ZVAWYAOSSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-6-17(18(21)15-9-11-16(19)12-10-15)20(22)13-14-7-4-3-5-8-14/h3-5,7-12,17-18,21-22H,2,6,13H2,1H3/t17?,18-/m0/s1.
What are the key properties of (1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol?
(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol has a molecular weight of 303.38 g/mol, XLogP of 3.92, 7 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)pentan-1-ol is sourced from PubChem (CID 164683952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).