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

C17H20N2O — CID 110337210

IUPACN-[(E)-(4-butoxyphenyl)methylideneamino]aniline
SMILESCCCCOc1ccc(/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-3-13-20-17-11-9-15(10-12-17)14-18-19-16-7-5-4-6-8-16/h4-12,14,19H,2-3,13H2,1H3/b18-14+
InChIKeyWJPFXZDMIPGZBB-NBVRZTHBSA-N
MW268.36 g/mol
LogP4.31
Rot. Bonds7

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

N-[(E)-(4-butoxyphenyl)methylideneamino]aniline (PubChem CID 110337210) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(E)-(4-butoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(4-butoxyphenyl)methylideneamino]aniline
PubChem CID110337210
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(E)-(4-butoxyphenyl)methylideneamino]aniline
SMILESCCCCOc1ccc(/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-3-13-20-17-11-9-15(10-12-17)14-18-19-16-7-5-4-6-8-16/h4-12,14,19H,2-3,13H2,1H3/b18-14+
InChIKeyWJPFXZDMIPGZBB-NBVRZTHBSA-N
XLogP4.31
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
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-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
CID 169381913
N-[(3-fluoro-5-hexoxyphenyl)methylideneamino]aniline
CID 169382049
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383035
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
CID 169383010
N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline
CID 169382566
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
CID 169383822

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(4-butoxyphenyl)methylideneamino]aniline (CID 110337210) is N-[(E)-(4-butoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(4-butoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(4-butoxyphenyl)methylideneamino]aniline is CCCCOc1ccc(/C=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-butoxyphenyl)methylideneamino]aniline?
The InChIKey is WJPFXZDMIPGZBB-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-3-13-20-17-11-9-15(10-12-17)14-18-19-16-7-5-4-6-8-16/h4-12,14,19H,2-3,13H2,1H3/b18-14+.
What are the key properties of N-[(E)-(4-butoxyphenyl)methylideneamino]aniline?
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline has a molecular weight of 268.36 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-butoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110337210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).