1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane

C23H35NO — CID 143730217

IUPAC1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
SMILESCC.CC.CCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1
InChIInChI=1S/C19H23NO.2C2H6/c1-3-5-14-21-19-12-8-17(9-13-19)15-20-18-10-6-16(4-2)7-11-18;2*1-2/h6-13,15H,3-5,14H2,1-2H3;2*1-2H3/b20-15+;;
InChIKeyCWUIPIGWJYTVPW-ZAWKPCBGSA-N
MW341.54 g/mol
LogP7.23
Rot. Bonds7

About 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane

1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane (PubChem CID 143730217) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
PubChem CID143730217
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane
SMILESCC.CC.CCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1
InChIInChI=1S/C19H23NO.2C2H6/c1-3-5-14-21-19-12-8-17(9-13-19)15-20-18-10-6-16(4-2)7-11-18;2*1-2/h6-13,15H,3-5,14H2,1-2H3;2*1-2H3/b20-15+;;
InChIKeyCWUIPIGWJYTVPW-ZAWKPCBGSA-N
XLogP7.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 57.23
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'}

Analyze 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethylphenyl)-1-(4-hexadecoxyphenyl)methanimine
CID 2753474
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
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-butoxyphenyl)-N-(4-prop-2-enylphenyl)methanimine
CID 67895495
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464
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
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212
4-[(4-dodecoxyphenyl)methylideneamino]phenol
CID 18443748

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane?
The IUPAC name of 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane (CID 143730217) is 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane.
What is the SMILES notation for 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane?
The canonical SMILES for 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane is CC.CC.CCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane?
The InChIKey is CWUIPIGWJYTVPW-ZAWKPCBGSA-N. The full InChI is InChI=1S/C19H23NO.2C2H6/c1-3-5-14-21-19-12-8-17(9-13-19)15-20-18-10-6-16(4-2)7-11-18;2*1-2/h6-13,15H,3-5,14H2,1-2H3;2*1-2H3/b20-15+;;.
What are the key properties of 1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane?
1-(4-butoxyphenyl)-N-(4-ethylphenyl)methanimine;ethane has a molecular weight of 341.54 g/mol, XLogP of 7.23, 7 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-ethylphenyl)methanimine;ethane is sourced from PubChem (CID 143730217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).