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

C16H16ClNO — CID 101207239

IUPAC1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine
SMILESCOC[C@H](/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-19-12-16(14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-11,16H,12H2,1H3/b18-11+/t16-/m0/s1
InChIKeyPFWDXSXOXRQIJP-GYKGCMEESA-N
MW273.76 g/mol
LogP4.15
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine (PubChem CID 101207239) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine
PubChem CID101207239
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine
SMILESCOC[C@H](/N=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-19-12-16(14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-11,16H,12H2,1H3/b18-11+/t16-/m0/s1
InChIKeyPFWDXSXOXRQIJP-GYKGCMEESA-N
XLogP4.15
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1R)-2-methoxy-1-phenylethyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine (CID 101207239) is 1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine is COC[C@H](/N=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine?
The InChIKey is PFWDXSXOXRQIJP-GYKGCMEESA-N. The full InChI is InChI=1S/C16H16ClNO/c1-19-12-16(14-5-3-2-4-6-14)18-11-13-7-9-15(17)10-8-13/h2-11,16H,12H2,1H3/b18-11+/t16-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine?
1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine has a molecular weight of 273.76 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1R)-2-methoxy-1-phenylethyl]methanimine is sourced from PubChem (CID 101207239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).