N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine

C19H20N2 — CID 166874392

IUPACN-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine
SMILESC/C=N/c1cccc(/N=C/c2cccc(C=C(C)C)c2)c1
InChIInChI=1S/C19H20N2/c1-4-20-18-9-6-10-19(13-18)21-14-17-8-5-7-16(12-17)11-15(2)3/h4-14H,1-3H3/b20-4+,21-14+
InChIKeyZBBSDQCBYRKWDO-LRILITGKSA-N
MW276.38 g/mol
LogP5.58
Rot. Bonds4

About N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine

N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine (PubChem CID 166874392) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine.

Molecular Properties

Compound NameN-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine
PubChem CID166874392
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine
SMILESC/C=N/c1cccc(/N=C/c2cccc(C=C(C)C)c2)c1
InChIInChI=1S/C19H20N2/c1-4-20-18-9-6-10-19(13-18)21-14-17-8-5-7-16(12-17)11-15(2)3/h4-14H,1-3H3/b20-4+,21-14+
InChIKeyZBBSDQCBYRKWDO-LRILITGKSA-N
XLogP5.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,1-bis(3-phenylphenyl)methanimine
CID 141288310
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
2-hydroxy-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
CID 158650341
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine
CID 86728778
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
CID 159578840
3-(2-methylprop-1-enyl)benzoic acid
CID 144799452
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
ethane;N-phenylethanimine
CID 91127812

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine?
The IUPAC name of N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine (CID 166874392) is N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine.
What is the SMILES notation for N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine?
The canonical SMILES for N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine is C/C=N/c1cccc(/N=C/c2cccc(C=C(C)C)c2)c1.
What is the InChIKey of N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine?
The InChIKey is ZBBSDQCBYRKWDO-LRILITGKSA-N. The full InChI is InChI=1S/C19H20N2/c1-4-20-18-9-6-10-19(13-18)21-14-17-8-5-7-16(12-17)11-15(2)3/h4-14H,1-3H3/b20-4+,21-14+.
What are the key properties of N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine?
N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine has a molecular weight of 276.38 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(2-methylprop-1-enyl)phenyl]methylideneamino]phenyl]ethanimine is sourced from PubChem (CID 166874392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).