1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine

C19H22ClNO — CID 159296275

IUPAC1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine
SMILES[H]/N=C(\CCCCOc1ccc(C)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO/c1-15-5-11-19(12-6-15)22-13-3-2-4-18(21)14-16-7-9-17(20)10-8-16/h5-12,21H,2-4,13-14H2,1H3/b21-18+
InChIKeyLATLJZMBWAXVQG-DYTRJAOYSA-N
MW315.84 g/mol
LogP5.46
Rot. Bonds8

About 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine

1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine (PubChem CID 159296275) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine
PubChem CID159296275
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine
SMILES[H]/N=C(\CCCCOc1ccc(C)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO/c1-15-5-11-19(12-6-15)22-13-3-2-4-18(21)14-16-7-9-17(20)10-8-16/h5-12,21H,2-4,13-14H2,1H3/b21-18+
InChIKeyLATLJZMBWAXVQG-DYTRJAOYSA-N
XLogP5.46
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.84
LogP ≤ 55.46
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine?
The IUPAC name of 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine (CID 159296275) is 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine.
What is the SMILES notation for 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine?
The canonical SMILES for 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine is [H]/N=C(\CCCCOc1ccc(C)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine?
The InChIKey is LATLJZMBWAXVQG-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-15-5-11-19(12-6-15)22-13-3-2-4-18(21)14-16-7-9-17(20)10-8-16/h5-12,21H,2-4,13-14H2,1H3/b21-18+.
What are the key properties of 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine?
1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine has a molecular weight of 315.84 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-(4-methylphenoxy)hexan-2-imine is sourced from PubChem (CID 159296275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).