1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine

C20H23NO — CID 67895495

IUPAC1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine
SMILESC=CCc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C20H23NO/c1-3-5-15-22-20-13-9-18(10-14-20)16-21-19-11-7-17(6-4-2)8-12-19/h4,7-14,16H,2-3,5-6,15H2,1H3/b21-16+
InChIKeySRZWHAHGJLVJIW-LTGZKZEYSA-N
MW293.41 g/mol
LogP5.34
Rot. Bonds8

About 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine

1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine (PubChem CID 67895495) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine
PubChem CID67895495
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine
SMILESC=CCc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C20H23NO/c1-3-5-15-22-20-13-9-18(10-14-20)16-21-19-11-7-17(6-4-2)8-12-19/h4,7-14,16H,2-3,5-6,15H2,1H3/b21-16+
InChIKeySRZWHAHGJLVJIW-LTGZKZEYSA-N
XLogP5.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
CID 143730217
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
N-(4-decylphenyl)-1-(4-pentadecoxyphenyl)methanimine
CID 101243686
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
N-(4-hexoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 86094874
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine?
The IUPAC name of 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine (CID 67895495) is 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine.
What is the SMILES notation for 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine?
The canonical SMILES for 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine is C=CCc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine?
The InChIKey is SRZWHAHGJLVJIW-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-5-15-22-20-13-9-18(10-14-20)16-21-19-11-7-17(6-4-2)8-12-19/h4,7-14,16H,2-3,5-6,15H2,1H3/b21-16+.
What are the key properties of 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine?
1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine has a molecular weight of 293.41 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine is sourced from PubChem (CID 67895495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).