1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine

C15H14ClN — CID 11413849

IUPAC1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-12H,1H3/b17-11+/t12-/m0/s1
InChIKeyBMKJZUDJOBZDLG-OOIIIRTPSA-N
MW243.74 g/mol
LogP4.52
Rot. Bonds3

About 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine

1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 11413849) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine
PubChem CID11413849
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-12H,1H3/b17-11+/t12-/m0/s1
InChIKeyBMKJZUDJOBZDLG-OOIIIRTPSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.52
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-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine (CID 11413849) is 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine is C[C@H](/N=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is BMKJZUDJOBZDLG-OOIIIRTPSA-N. The full InChI is InChI=1S/C15H14ClN/c1-12(14-5-3-2-4-6-14)17-11-13-7-9-15(16)10-8-13/h2-12H,1H3/b17-11+/t12-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine?
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 243.74 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 11413849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).