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

C16H18N2O — CID 110337849

IUPACN-[(E)-(4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1ccc(/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-12-19-16-10-8-14(9-11-16)13-17-18-15-6-4-3-5-7-15/h3-11,13,18H,2,12H2,1H3/b17-13+
InChIKeyYQVVRWWXZDMKHO-GHRIWEEISA-N
MW254.33 g/mol
LogP3.92
Rot. Bonds6

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

N-[(E)-(4-propoxyphenyl)methylideneamino]aniline (PubChem CID 110337849) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(E)-(4-propoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(4-propoxyphenyl)methylideneamino]aniline
PubChem CID110337849
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(E)-(4-propoxyphenyl)methylideneamino]aniline
SMILESCCCOc1ccc(/C=N/Nc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-2-12-19-16-10-8-14(9-11-16)13-17-18-15-6-4-3-5-7-15/h3-11,13,18H,2,12H2,1H3/b17-13+
InChIKeyYQVVRWWXZDMKHO-GHRIWEEISA-N
XLogP3.92
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-butoxyphenyl)methylideneamino]aniline
CID 110337210
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
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
N-[(4-butoxy-2,6-dimethylphenyl)methylideneamino]aniline
CID 169381913
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-propoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(4-propoxyphenyl)methylideneamino]aniline (CID 110337849) is N-[(E)-(4-propoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(4-propoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(4-propoxyphenyl)methylideneamino]aniline is CCCOc1ccc(/C=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-propoxyphenyl)methylideneamino]aniline?
The InChIKey is YQVVRWWXZDMKHO-GHRIWEEISA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-12-19-16-10-8-14(9-11-16)13-17-18-15-6-4-3-5-7-15/h3-11,13,18H,2,12H2,1H3/b17-13+.
What are the key properties of N-[(E)-(4-propoxyphenyl)methylideneamino]aniline?
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline has a molecular weight of 254.33 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-propoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110337849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).