1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine

C24H33NO2 — CID 102439863

IUPAC1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine
SMILESCCCCCOc1cc(/C=N/c2ccccc2)c(OCCCCC)cc1C
InChIInChI=1S/C24H33NO2/c1-4-6-11-15-26-23-18-21(19-25-22-13-9-8-10-14-22)24(17-20(23)3)27-16-12-7-5-2/h8-10,13-14,17-19H,4-7,11-12,15-16H2,1-3H3/b25-19+
InChIKeyZPKWDZNSYPOENI-NCELDCMTSA-N
MW367.53 g/mol
LogP6.88
Rot. Bonds12

About 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine

1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine (PubChem CID 102439863) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine
PubChem CID102439863
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine
SMILESCCCCCOc1cc(/C=N/c2ccccc2)c(OCCCCC)cc1C
InChIInChI=1S/C24H33NO2/c1-4-6-11-15-26-23-18-21(19-25-22-13-9-8-10-14-22)24(17-20(23)3)27-16-12-7-5-2/h8-10,13-14,17-19H,4-7,11-12,15-16H2,1-3H3/b25-19+
InChIKeyZPKWDZNSYPOENI-NCELDCMTSA-N
XLogP6.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine 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-phenyl-1-(3,4,5-trihexoxyphenyl)methanimine
CID 102392596
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
1,4-diheptoxy-2-methyl-5-prop-1-enylbenzene
CID 59896216
2-[(3,4,5-tridodecoxyphenyl)iminomethyl]phenol
CID 136820001
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
1-methoxy-2-methyl-4-(3-phenylpropoxy)-5-[2-(4-prop-1-enylphenyl)ethenyl]benzene;1-methyl-2,5-dioctoxy-4-[2-(4-prop-1-enylphenyl)ethenyl]benzene
CID 90835479
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
3,8-dimethyl-2,9-dipentoxy-5,5,6,6-tetraphenoxybenzo[c][1,2]benzodisiline
CID 59167408
N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 14715139
1-decoxy-2-[(E)-2-(5-methoxy-2,4-dimethylphenyl)ethenyl]-4,5-dimethylbenzene
CID 58038590

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine (CID 102439863) is 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine is CCCCCOc1cc(/C=N/c2ccccc2)c(OCCCCC)cc1C.
What is the InChIKey of 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine?
The InChIKey is ZPKWDZNSYPOENI-NCELDCMTSA-N. The full InChI is InChI=1S/C24H33NO2/c1-4-6-11-15-26-23-18-21(19-25-22-13-9-8-10-14-22)24(17-20(23)3)27-16-12-7-5-2/h8-10,13-14,17-19H,4-7,11-12,15-16H2,1-3H3/b25-19+.
What are the key properties of 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine?
1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine has a molecular weight of 367.53 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine is sourced from PubChem (CID 102439863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).