N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine

C23H22N2 — CID 129015058

IUPACN-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine
SMILESC/N=C(\c1ccccc1)c1cccc(C/N=C/c2ccc(C)cc2)c1
InChIInChI=1S/C23H22N2/c1-18-11-13-19(14-12-18)16-25-17-20-7-6-10-22(15-20)23(24-2)21-8-4-3-5-9-21/h3-16H,17H2,1-2H3/b24-23+,25-16+
InChIKeyHUVILBGMBVXHNL-QNSIDEIMSA-N
MW326.44 g/mol
LogP5.08
Rot. Bonds5

About N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine

N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine (PubChem CID 129015058) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine
PubChem CID129015058
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC NameN-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine
SMILESC/N=C(\c1ccccc1)c1cccc(C/N=C/c2ccc(C)cc2)c1
InChIInChI=1S/C23H22N2/c1-18-11-13-19(14-12-18)16-25-17-20-7-6-10-22(15-20)23(24-2)21-8-4-3-5-9-21/h3-16H,17H2,1-2H3/b24-23+,25-16+
InChIKeyHUVILBGMBVXHNL-QNSIDEIMSA-N
XLogP5.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.08
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

2-[(4-methylphenyl)methyliminomethyl]phenol
CID 135657309
N-benzyl-1-(4-fluoranthen-3-ylphenyl)methanimine;N'-methyl-3-pyridin-3-ylbenzenecarboximidamide
CID 145179748
N-[(4-methylphenyl)methylidene]benzamide
CID 4606839
[3-(benzyliminomethyl)phenyl]methanamine
CID 130181633
N-benzyl-1-(2-methylphenyl)methanimine;ethane
CID 143782253
N-methyl-1-[3-[[3-(N-methyl-C-phenylcarbonimidoyl)phenyl]-(4-phenylphenyl)boranyl]phenyl]-1-phenylmethanimine
CID 140599041
N-methyl-N-[[(4-methylphenyl)methylideneamino]methyl]aniline
CID 3739167
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole
CID 89277250
N-benzyl-1-(3-trimethylsilylsulfanylphenyl)methanimine
CID 140768172
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine?
The IUPAC name of N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine (CID 129015058) is N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine?
The canonical SMILES for N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine is C/N=C(\c1ccccc1)c1cccc(C/N=C/c2ccc(C)cc2)c1.
What is the InChIKey of N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine?
The InChIKey is HUVILBGMBVXHNL-QNSIDEIMSA-N. The full InChI is InChI=1S/C23H22N2/c1-18-11-13-19(14-12-18)16-25-17-20-7-6-10-22(15-20)23(24-2)21-8-4-3-5-9-21/h3-16H,17H2,1-2H3/b24-23+,25-16+.
What are the key properties of N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine?
N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine has a molecular weight of 326.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[[(4-methylphenyl)methylideneamino]methyl]phenyl]-1-phenylmethanimine is sourced from PubChem (CID 129015058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).