2-[(4-chlorophenyl)methylideneamino]butan-1-ol

C11H14ClNO — CID 2847005

IUPAC2-[(4-chlorophenyl)methylideneamino]butan-1-ol
SMILESCCC(CO)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-7,11,14H,2,8H2,1H3/b13-7+
InChIKeyVDQBJXFTXLPDIX-NTUHNPAUSA-N
MW211.69 g/mol
LogP2.53
Rot. Bonds4

About 2-[(4-chlorophenyl)methylideneamino]butan-1-ol

2-[(4-chlorophenyl)methylideneamino]butan-1-ol (PubChem CID 2847005) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylideneamino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylideneamino]butan-1-ol
PubChem CID2847005
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-[(4-chlorophenyl)methylideneamino]butan-1-ol
SMILESCCC(CO)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-7,11,14H,2,8H2,1H3/b13-7+
InChIKeyVDQBJXFTXLPDIX-NTUHNPAUSA-N
XLogP2.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)methylideneamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylideneamino]butan-1-ol?
The IUPAC name of 2-[(4-chlorophenyl)methylideneamino]butan-1-ol (CID 2847005) is 2-[(4-chlorophenyl)methylideneamino]butan-1-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methylideneamino]butan-1-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methylideneamino]butan-1-ol is CCC(CO)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylideneamino]butan-1-ol?
The InChIKey is VDQBJXFTXLPDIX-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-2-11(8-14)13-7-9-3-5-10(12)6-4-9/h3-7,11,14H,2,8H2,1H3/b13-7+.
What are the key properties of 2-[(4-chlorophenyl)methylideneamino]butan-1-ol?
2-[(4-chlorophenyl)methylideneamino]butan-1-ol has a molecular weight of 211.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylideneamino]butan-1-ol is sourced from PubChem (CID 2847005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).