(1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol

C16H16FNO — CID 101116809

IUPAC(1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol
SMILESC[C@@H](/N=C/c1ccc(F)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16FNO/c1-12(16(19)14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-12,16,19H,1H3/b18-11+/t12-,16+/m1/s1
InChIKeySOZMCGPXRUKOAE-GZSQHQNZSA-N
MW257.31 g/mol
LogP3.37
Rot. Bonds4

About (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol

(1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol (PubChem CID 101116809) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol
PubChem CID101116809
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name(1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol
SMILESC[C@@H](/N=C/c1ccc(F)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H16FNO/c1-12(16(19)14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-12,16,19H,1H3/b18-11+/t12-,16+/m1/s1
InChIKeySOZMCGPXRUKOAE-GZSQHQNZSA-N
XLogP3.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol (CID 101116809) is (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol is C[C@@H](/N=C/c1ccc(F)cc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol?
The InChIKey is SOZMCGPXRUKOAE-GZSQHQNZSA-N. The full InChI is InChI=1S/C16H16FNO/c1-12(16(19)14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-12,16,19H,1H3/b18-11+/t12-,16+/m1/s1.
What are the key properties of (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol?
(1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol has a molecular weight of 257.31 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[(4-fluorophenyl)methylideneamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 101116809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).