N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine

C31H47NO — CID 70595513

IUPACN-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine
SMILESCCCCCCCCCCCCCC/N=C/c1ccc(OCc2ccc(C)c(C)c2C)cc1
InChIInChI=1S/C31H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-32-24-29-18-21-31(22-19-29)33-25-30-20-17-26(2)27(3)28(30)4/h17-22,24H,5-16,23,25H2,1-4H3/b32-24+
InChIKeyVKAQDOZAEOTZAI-FEZSWGLMSA-N
MW449.72 g/mol
LogP9.31
Rot. Bonds17

About N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine

N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine (PubChem CID 70595513) has the molecular formula C31H47NO and a molecular weight of 449.72 g/mol. Its IUPAC name is N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine
PubChem CID70595513
Molecular FormulaC31H47NO
Molecular Weight449.72 g/mol
Exact Mass449.37
IUPAC NameN-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine
SMILESCCCCCCCCCCCCCC/N=C/c1ccc(OCc2ccc(C)c(C)c2C)cc1
InChIInChI=1S/C31H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-32-24-29-18-21-31(22-19-29)33-25-30-20-17-26(2)27(3)28(30)4/h17-22,24H,5-16,23,25H2,1-4H3/b32-24+
InChIKeyVKAQDOZAEOTZAI-FEZSWGLMSA-N
XLogP9.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.72
LogP ≤ 59.31
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'}

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Related Compounds

N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
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
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
CID 145260574
4-(hexyliminomethyl)benzaldehyde
CID 87557780
1-(4-bromophenyl)-N-decylmethanimine
CID 525668
1-(4-ethenylphenyl)-N-hexylmethanimine
CID 66742447
[4-[7-[[4-(4-decoxybenzoyl)oxyphenyl]methylideneamino]heptyliminomethyl]phenyl] 4-decoxybenzoate
CID 102078858
4-(decyliminomethyl)-N,N-dimethylaniline
CID 160905349

Frequently Asked Questions

What is the IUPAC name of N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine (CID 70595513) is N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine is CCCCCCCCCCCCCC/N=C/c1ccc(OCc2ccc(C)c(C)c2C)cc1.
What is the InChIKey of N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine?
The InChIKey is VKAQDOZAEOTZAI-FEZSWGLMSA-N. The full InChI is InChI=1S/C31H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-32-24-29-18-21-31(22-19-29)33-25-30-20-17-26(2)27(3)28(30)4/h17-22,24H,5-16,23,25H2,1-4H3/b32-24+.
What are the key properties of N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine?
N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine has a molecular weight of 449.72 g/mol, XLogP of 9.31, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 70595513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).