N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline

C19H18N2O — CID 169382838

IUPACN-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline
SMILESC#CCOc1ccc(C=NNc2ccccc2)cc1CC=C
InChIInChI=1S/C19H18N2O/c1-3-8-17-14-16(11-12-19(17)22-13-4-2)15-20-21-18-9-6-5-7-10-18/h2-3,5-7,9-12,14-15,21H,1,8,13H2
InChIKeyRUXKWLCRZFZNAT-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.87
Rot. Bonds7

About N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline

N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline (PubChem CID 169382838) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline
PubChem CID169382838
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline
SMILESC#CCOc1ccc(C=NNc2ccccc2)cc1CC=C
InChIInChI=1S/C19H18N2O/c1-3-8-17-14-16(11-12-19(17)22-13-4-2)15-20-21-18-9-6-5-7-10-18/h2-3,5-7,9-12,14-15,21H,1,8,13H2
InChIKeyRUXKWLCRZFZNAT-UHFFFAOYSA-N
XLogP3.87
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]thiourea
CID 168535276
N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
CID 169382362
N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076289
4-[(2Z)-2-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 7369465
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine
CID 168629924
2-[2-[(4-ethoxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168573195
2-[4-oxo-2-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 168621141
2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 5188168
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 6265616
N-[[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 169384149

Frequently Asked Questions

What is the IUPAC name of N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline (CID 169382838) is N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline is C#CCOc1ccc(C=NNc2ccccc2)cc1CC=C.
What is the InChIKey of N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline?
The InChIKey is RUXKWLCRZFZNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-8-17-14-16(11-12-19(17)22-13-4-2)15-20-21-18-9-6-5-7-10-18/h2-3,5-7,9-12,14-15,21H,1,8,13H2.
What are the key properties of N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline?
N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline has a molecular weight of 290.37 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 169382838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).