2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol

C13H18FNO — CID 67298395

IUPAC2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)/N=C/c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-10(2)7-13(9-16)15-8-11-3-5-12(14)6-4-11/h3-6,8,10,13,16H,7,9H2,1-2H3/b15-8+
InChIKeyCVMHFGSFBKCERV-OVCLIPMQSA-N
MW223.29 g/mol
LogP2.65
Rot. Bonds5

About 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol

2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol (PubChem CID 67298395) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol
PubChem CID67298395
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)/N=C/c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-10(2)7-13(9-16)15-8-11-3-5-12(14)6-4-11/h3-6,8,10,13,16H,7,9H2,1-2H3/b15-8+
InChIKeyCVMHFGSFBKCERV-OVCLIPMQSA-N
XLogP2.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.65
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 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol (CID 67298395) is 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol is CC(C)CC(CO)/N=C/c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol?
The InChIKey is CVMHFGSFBKCERV-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(2)7-13(9-16)15-8-11-3-5-12(14)6-4-11/h3-6,8,10,13,16H,7,9H2,1-2H3/b15-8+.
What are the key properties of 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol?
2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylideneamino]-4-methylpentan-1-ol is sourced from PubChem (CID 67298395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).