N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline

C17H18N2O — CID 169381951

IUPACN-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline
SMILESC=CCOCc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-2-12-20-14-16-10-8-15(9-11-16)13-18-19-17-6-4-3-5-7-17/h2-11,13,19H,1,12,14H2
InChIKeyPRCXHYXBRBEUKT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.84
Rot. Bonds7

About N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline

N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline (PubChem CID 169381951) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline
PubChem CID169381951
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline
SMILESC=CCOCc1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-2-12-20-14-16-10-8-15(9-11-16)13-18-19-17-6-4-3-5-7-17/h2-11,13,19H,1,12,14H2
InChIKeyPRCXHYXBRBEUKT-UHFFFAOYSA-N
XLogP3.84
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.84
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 132896537
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339740
N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
CID 169383822
N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600

Frequently Asked Questions

What is the IUPAC name of N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline (CID 169381951) is N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline is C=CCOCc1ccc(C=NNc2ccccc2)cc1.
What is the InChIKey of N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline?
The InChIKey is PRCXHYXBRBEUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-12-20-14-16-10-8-15(9-11-16)13-18-19-17-6-4-3-5-7-17/h2-11,13,19H,1,12,14H2.
What are the key properties of N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline?
N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline has a molecular weight of 266.34 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(prop-2-enoxymethyl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169381951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).