N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane

C21H29NO — CID 145260574

IUPACN-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
SMILESCC.CCCC/N=C/c1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO.C2H6/c1-3-4-13-20-14-17-9-11-19(12-10-17)21-15-18-7-5-16(2)6-8-18;1-2/h5-12,14H,3-4,13,15H2,1-2H3;1-2H3/b20-14+;
InChIKeyLSFTWEGBHFMLHO-RANVTSCRSA-N
MW311.47 g/mol
LogP5.82
Rot. Bonds7

About N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane

N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane (PubChem CID 145260574) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane.

Molecular Properties

Compound NameN-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
PubChem CID145260574
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
SMILESCC.CCCC/N=C/c1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO.C2H6/c1-3-4-13-20-14-17-9-11-19(12-10-17)21-15-18-7-5-16(2)6-8-18;1-2/h5-12,14H,3-4,13,15H2,1-2H3;1-2H3/b20-14+;
InChIKeyLSFTWEGBHFMLHO-RANVTSCRSA-N
XLogP5.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.82
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 N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]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-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343925
N-hexyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343830
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine
CID 23343765
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 75087369
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]decanamide
CID 45054424
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]octadecanamide
CID 3709189
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine
CID 70595513
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343872

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane?
The IUPAC name of N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane (CID 145260574) is N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane.
What is the SMILES notation for N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane?
The canonical SMILES for N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane is CC.CCCC/N=C/c1ccc(OCc2ccc(C)cc2)cc1.
What is the InChIKey of N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane?
The InChIKey is LSFTWEGBHFMLHO-RANVTSCRSA-N. The full InChI is InChI=1S/C19H23NO.C2H6/c1-3-4-13-20-14-17-9-11-19(12-10-17)21-15-18-7-5-16(2)6-8-18;1-2/h5-12,14H,3-4,13,15H2,1-2H3;1-2H3/b20-14+;.
What are the key properties of N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane?
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane has a molecular weight of 311.47 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane is sourced from PubChem (CID 145260574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).