N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline

C24H26N2O — CID 4188991

IUPACN-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
SMILESCCCCOc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-2-3-18-27-24-16-14-21(15-17-24)19-25-26(23-12-8-5-9-13-23)20-22-10-6-4-7-11-22/h4-17,19H,2-3,18,20H2,1H3
InChIKeyDCVSEHAZUMBZGV-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.91
Rot. Bonds9

About N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline

N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline (PubChem CID 4188991) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
PubChem CID4188991
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
SMILESCCCCOc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H26N2O/c1-2-3-18-27-24-16-14-21(15-17-24)19-25-26(23-12-8-5-9-13-23)20-22-10-6-4-7-11-22/h4-17,19H,2-3,18,20H2,1H3
InChIKeyDCVSEHAZUMBZGV-UHFFFAOYSA-N
XLogP5.91
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
CID 143565465
N-benzyl-N-[(4-phenylphenyl)methylideneamino]aniline
CID 3486840
methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5053665
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-methoxyphenol
CID 4245483
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
CID 90481154
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine
CID 110337853
N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline
CID 4109737
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
CID 6047667
4-[[benzyl(phenyl)hydrazinylidene]methyl]-2-bromo-6-methoxyphenol
CID 3415919
N-[(E)-anthracen-9-ylmethylideneamino]-N-benzylaniline
CID 21205176

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline (CID 4188991) is N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline is CCCCOc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline?
The InChIKey is DCVSEHAZUMBZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-2-3-18-27-24-16-14-21(15-17-24)19-25-26(23-12-8-5-9-13-23)20-22-10-6-4-7-11-22/h4-17,19H,2-3,18,20H2,1H3.
What are the key properties of N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline?
N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline has a molecular weight of 358.49 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 4188991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).