N-benzyl-3-(benzylideneamino)aniline

C20H18N2 — CID 102345813

IUPACN-benzyl-3-(benzylideneamino)aniline
SMILESC(=N/c1cccc(NCc2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C20H18N2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-15,22H,16H2/b21-15+
InChIKeyJAORLARWDRFSNB-RCCKNPSSSA-N
MW286.38 g/mol
LogP5.05
Rot. Bonds5

About N-benzyl-3-(benzylideneamino)aniline

N-benzyl-3-(benzylideneamino)aniline (PubChem CID 102345813) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-benzyl-3-(benzylideneamino)aniline.

Molecular Properties

Compound NameN-benzyl-3-(benzylideneamino)aniline
PubChem CID102345813
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC NameN-benzyl-3-(benzylideneamino)aniline
SMILESC(=N/c1cccc(NCc2ccccc2)c1)\c1ccccc1
InChIInChI=1S/C20H18N2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-15,22H,16H2/b21-15+
InChIKeyJAORLARWDRFSNB-RCCKNPSSSA-N
XLogP5.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 163931246
CID 163931246
3-(anilinomethyl)benzaldehyde
CID 87371298
3-(benzylamino)benzenethiol
CID 146183965
N,1-bis(3-phenylphenyl)methanimine
CID 141288310
N-benzyl-3-isocyanoaniline
CID 58875358
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-benzyl-3-phenylmethoxyaniline
CID 54801332
3-[3-[[3-(hydrazinylmethylideneamino)phenyl]methylamino]phenyl]-3-phenylpropanoic acid
CID 70211930
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
2-[4-[4-(benzylideneamino)phenyl]anilino]ethanol
CID 139903918
N-benzyl-3,4-difluoroaniline
CID 21321396

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(benzylideneamino)aniline?
The IUPAC name of N-benzyl-3-(benzylideneamino)aniline (CID 102345813) is N-benzyl-3-(benzylideneamino)aniline.
What is the SMILES notation for N-benzyl-3-(benzylideneamino)aniline?
The canonical SMILES for N-benzyl-3-(benzylideneamino)aniline is C(=N/c1cccc(NCc2ccccc2)c1)\c1ccccc1.
What is the InChIKey of N-benzyl-3-(benzylideneamino)aniline?
The InChIKey is JAORLARWDRFSNB-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H18N2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-15,22H,16H2/b21-15+.
What are the key properties of N-benzyl-3-(benzylideneamino)aniline?
N-benzyl-3-(benzylideneamino)aniline has a molecular weight of 286.38 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(benzylideneamino)aniline is sourced from PubChem (CID 102345813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).