1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine

C15H22ClN — CID 92541995

IUPAC1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine
SMILESCCCC[C@@H](CC)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-3-5-6-13(4-2)11-17-12-14-7-9-15(16)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3/b17-12+/t13-/m1/s1
InChIKeyCPAOGDRPZVHEIC-LVLBFHFTSA-N
MW251.80 g/mol
LogP4.98
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine

1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine (PubChem CID 92541995) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine
PubChem CID92541995
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine
SMILESCCCC[C@@H](CC)C/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-3-5-6-13(4-2)11-17-12-14-7-9-15(16)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3/b17-12+/t13-/m1/s1
InChIKeyCPAOGDRPZVHEIC-LVLBFHFTSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.98
H-Bond Donors ≤ 50
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)-N-[(2R)-2-ethylhexyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine (CID 92541995) is 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine is CCCC[C@@H](CC)C/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine?
The InChIKey is CPAOGDRPZVHEIC-LVLBFHFTSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-5-6-13(4-2)11-17-12-14-7-9-15(16)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3/b17-12+/t13-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine?
1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine has a molecular weight of 251.80 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-2-ethylhexyl]methanimine is sourced from PubChem (CID 92541995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).