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

C16H17N — CID 13093267

IUPAC1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESCc1ccc(/C=N/[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16/h3-12,14H,1-2H3/b17-12+/t14-/m0/s1
InChIKeySVKCHTZBLVZSPE-IQGJIOQQSA-N
MW223.32 g/mol
LogP4.18
Rot. Bonds3

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

1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 13093267) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine
PubChem CID13093267
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine
SMILESCc1ccc(/C=N/[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H17N/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16/h3-12,14H,1-2H3/b17-12+/t14-/m0/s1
InChIKeySVKCHTZBLVZSPE-IQGJIOQQSA-N
XLogP4.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.18
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-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine (CID 13093267) is 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine is Cc1ccc(/C=N/[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is SVKCHTZBLVZSPE-IQGJIOQQSA-N. The full InChI is InChI=1S/C16H17N/c1-13-8-10-15(11-9-13)12-17-14(2)16-6-4-3-5-7-16/h3-12,14H,1-2H3/b17-12+/t14-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine?
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 223.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 13093267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).