butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine

C26H31N — CID 143802806

IUPACbutylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1C)c1ccc(C)cc1.CCCCc1ccccc1
InChIInChI=1S/C16H17N.C10H14/c1-12-8-10-15(11-9-12)14(3)17-16-7-5-4-6-13(16)2;1-2-3-7-10-8-5-4-6-9-10/h4-11H,1-3H3;4-6,8-9H,2-3,7H2,1H3/b17-14+;
InChIKeyBQJBHTXSZXXMRZ-KLSJZZFUSA-N
MW357.54 g/mol
LogP7.47
Rot. Bonds5

About butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine

butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine (PubChem CID 143802806) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound Namebutylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine
PubChem CID143802806
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Namebutylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1C)c1ccc(C)cc1.CCCCc1ccccc1
InChIInChI=1S/C16H17N.C10H14/c1-12-8-10-15(11-9-12)14(3)17-16-7-5-4-6-13(16)2;1-2-3-7-10-8-5-4-6-9-10/h4-11H,1-3H3;4-6,8-9H,2-3,7H2,1H3/b17-14+;
InChIKeyBQJBHTXSZXXMRZ-KLSJZZFUSA-N
XLogP7.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.47
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 butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine?
The IUPAC name of butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine (CID 143802806) is butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine?
The canonical SMILES for butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine is C/C(=N\c1ccccc1C)c1ccc(C)cc1.CCCCc1ccccc1.
What is the InChIKey of butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine?
The InChIKey is BQJBHTXSZXXMRZ-KLSJZZFUSA-N. The full InChI is InChI=1S/C16H17N.C10H14/c1-12-8-10-15(11-9-12)14(3)17-16-7-5-4-6-13(16)2;1-2-3-7-10-8-5-4-6-9-10/h4-11H,1-3H3;4-6,8-9H,2-3,7H2,1H3/b17-14+;.
What are the key properties of butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine?
butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine has a molecular weight of 357.54 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylbenzene;N-(2-methylphenyl)-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 143802806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).