1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine

C16H16ClN — CID 59536354

IUPAC1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine
SMILESC[C@@H](Cc1ccccc1)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN/c1-13(11-14-5-3-2-4-6-14)18-12-15-7-9-16(17)10-8-15/h2-10,12-13H,11H2,1H3/b18-12+/t13-/m0/s1
InChIKeyZNXDPWVEDZSQFW-HTMJNSLASA-N
MW257.76 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine

1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine (PubChem CID 59536354) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine
PubChem CID59536354
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine
SMILESC[C@@H](Cc1ccccc1)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN/c1-13(11-14-5-3-2-4-6-14)18-12-15-7-9-16(17)10-8-15/h2-10,12-13H,11H2,1H3/b18-12+/t13-/m0/s1
InChIKeyZNXDPWVEDZSQFW-HTMJNSLASA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.39
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-[(2S)-1-phenylpropan-2-yl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine (CID 59536354) is 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine is C[C@@H](Cc1ccccc1)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine?
The InChIKey is ZNXDPWVEDZSQFW-HTMJNSLASA-N. The full InChI is InChI=1S/C16H16ClN/c1-13(11-14-5-3-2-4-6-14)18-12-15-7-9-16(17)10-8-15/h2-10,12-13H,11H2,1H3/b18-12+/t13-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine?
1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine has a molecular weight of 257.76 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]methanimine is sourced from PubChem (CID 59536354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).