4-benzyliminobutan-1-ol

C11H15NO — CID 130129562

IUPAC4-benzyliminobutan-1-ol
SMILESOCCC/C=N/Cc1ccccc1
InChIInChI=1S/C11H15NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-8,13H,4-5,9-10H2/b12-8+
InChIKeyFCLSMISNMDDMPV-XYOKQWHBSA-N
MW177.25 g/mol
LogP2.03
Rot. Bonds5

About 4-benzyliminobutan-1-ol

4-benzyliminobutan-1-ol (PubChem CID 130129562) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-benzyliminobutan-1-ol.

Molecular Properties

Compound Name4-benzyliminobutan-1-ol
PubChem CID130129562
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-benzyliminobutan-1-ol
SMILESOCCC/C=N/Cc1ccccc1
InChIInChI=1S/C11H15NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-8,13H,4-5,9-10H2/b12-8+
InChIKeyFCLSMISNMDDMPV-XYOKQWHBSA-N
XLogP2.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Phenylmethylene)amino]ethanol
CID 97677
3-(Benzylideneamino)propan-1-ol
CID 232154
N-benzylethanimine
CID 296647
Benzenemethanamine, N-(2-methylpropylidene)-
CID 3505229
Butylidenebenzylamine
CID 4555911
N-benzylpropan-1-imine
CID 11105513
N-benzylhexan-1-imine
CID 11816322
N-benzylpentan-1-imine
CID 14522165
N-benzyloxolan-2-imine
CID 14529224
Benzylideneamino-1-hydroxylethane
CID 66697160
Benzylideneaminopropanol
CID 67428659
2-(4-Fluorophenyl)-2,3,4,5-tetrahydropyridin-4-ol
CID 90996519

Frequently Asked Questions

What is the IUPAC name of 4-benzyliminobutan-1-ol?
The IUPAC name of 4-benzyliminobutan-1-ol (CID 130129562) is 4-benzyliminobutan-1-ol.
What is the SMILES notation for 4-benzyliminobutan-1-ol?
The canonical SMILES for 4-benzyliminobutan-1-ol is OCCC/C=N/Cc1ccccc1.
What is the InChIKey of 4-benzyliminobutan-1-ol?
The InChIKey is FCLSMISNMDDMPV-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-8,13H,4-5,9-10H2/b12-8+.
What are the key properties of 4-benzyliminobutan-1-ol?
4-benzyliminobutan-1-ol has a molecular weight of 177.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyliminobutan-1-ol is sourced from PubChem (CID 130129562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).