1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine

C16H15NO — CID 139217442

IUPAC1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine
SMILESC=CCOc1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C16H15NO/c1-2-12-18-16-10-8-15(9-11-16)17-13-14-6-4-3-5-7-14/h2-11,13H,1,12H2/b17-13+
InChIKeyQKTCKAXAFWKPTN-GHRIWEEISA-N
MW237.30 g/mol
LogP4.00
Rot. Bonds5

About 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine

1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine (PubChem CID 139217442) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine
PubChem CID139217442
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine
SMILESC=CCOc1ccc(/N=C/c2ccccc2)cc1
InChIInChI=1S/C16H15NO/c1-2-12-18-16-10-8-15(9-11-16)17-13-14-6-4-3-5-7-14/h2-11,13H,1,12H2/b17-13+
InChIKeyQKTCKAXAFWKPTN-GHRIWEEISA-N
XLogP4.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
CID 174846151
CID 174846151
N,1-diphenylmethanimine
CID 10858
2-[4-(phenyliminomethyl)phenoxy]ethanol
CID 50742114
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126205744
N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
CID 21205042
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
phenol;4-prop-2-enoxyphenol
CID 70303777
1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine
CID 67895495
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine?
The IUPAC name of 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine (CID 139217442) is 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine.
What is the SMILES notation for 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine?
The canonical SMILES for 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine is C=CCOc1ccc(/N=C/c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine?
The InChIKey is QKTCKAXAFWKPTN-GHRIWEEISA-N. The full InChI is InChI=1S/C16H15NO/c1-2-12-18-16-10-8-15(9-11-16)17-13-14-6-4-3-5-7-14/h2-11,13H,1,12H2/b17-13+.
What are the key properties of 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine?
1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine has a molecular weight of 237.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-prop-2-enoxyphenyl)methanimine is sourced from PubChem (CID 139217442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).