1-(4-chlorophenyl)-2-phenylbutan-1-imine

C16H16ClN — CID 143568831

IUPAC1-(4-chlorophenyl)-2-phenylbutan-1-imine
SMILES[H]/N=C(\c1ccc(Cl)cc1)C(CC)c1ccccc1
InChIInChI=1S/C16H16ClN/c1-2-15(12-6-4-3-5-7-12)16(18)13-8-10-14(17)11-9-13/h3-11,15,18H,2H2,1H3/b18-16+
InChIKeyVUGFASRWYZEBCC-FBMGVBCBSA-N
MW257.76 g/mol
LogP4.90
Rot. Bonds4

About 1-(4-chlorophenyl)-2-phenylbutan-1-imine

1-(4-chlorophenyl)-2-phenylbutan-1-imine (PubChem CID 143568831) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-phenylbutan-1-imine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-phenylbutan-1-imine
PubChem CID143568831
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name1-(4-chlorophenyl)-2-phenylbutan-1-imine
SMILES[H]/N=C(\c1ccc(Cl)cc1)C(CC)c1ccccc1
InChIInChI=1S/C16H16ClN/c1-2-15(12-6-4-3-5-7-12)16(18)13-8-10-14(17)11-9-13/h3-11,15,18H,2H2,1H3/b18-16+
InChIKeyVUGFASRWYZEBCC-FBMGVBCBSA-N
XLogP4.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(4-chlorophenyl)-2-phenylbutan-1-imine?
The IUPAC name of 1-(4-chlorophenyl)-2-phenylbutan-1-imine (CID 143568831) is 1-(4-chlorophenyl)-2-phenylbutan-1-imine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-phenylbutan-1-imine?
The canonical SMILES for 1-(4-chlorophenyl)-2-phenylbutan-1-imine is [H]/N=C(\c1ccc(Cl)cc1)C(CC)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-phenylbutan-1-imine?
The InChIKey is VUGFASRWYZEBCC-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H16ClN/c1-2-15(12-6-4-3-5-7-12)16(18)13-8-10-14(17)11-9-13/h3-11,15,18H,2H2,1H3/b18-16+.
What are the key properties of 1-(4-chlorophenyl)-2-phenylbutan-1-imine?
1-(4-chlorophenyl)-2-phenylbutan-1-imine has a molecular weight of 257.76 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-phenylbutan-1-imine is sourced from PubChem (CID 143568831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).