1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine

C26H35Cl2NO — CID 23343765

IUPAC1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine
SMILESCCCCCCCCCCCC/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C26H35Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-18-29-20-22-12-15-24(16-13-22)30-21-23-14-17-25(27)26(28)19-23/h12-17,19-20H,2-11,18,21H2,1H3/b29-20+
InChIKeyPDNXLHPWCMLLAA-ZTKZIYFRSA-N
MW448.48 g/mol
LogP8.91
Rot. Bonds15

About 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine

1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine (PubChem CID 23343765) has the molecular formula C26H35Cl2NO and a molecular weight of 448.48 g/mol. Its IUPAC name is 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine.

Molecular Properties

Compound Name1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine
PubChem CID23343765
Molecular FormulaC26H35Cl2NO
Molecular Weight448.48 g/mol
Exact Mass447.21
IUPAC Name1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine
SMILESCCCCCCCCCCCC/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C26H35Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-18-29-20-22-12-15-24(16-13-22)30-21-23-14-17-25(27)26(28)19-23/h12-17,19-20H,2-11,18,21H2,1H3/b29-20+
InChIKeyPDNXLHPWCMLLAA-ZTKZIYFRSA-N
XLogP8.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 58.91
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-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343925
N-hexyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343830
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
CID 145260574
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine
CID 70595513
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 19060245
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839719
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-methylprop-2-en-1-amine
CID 169474704
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine?
The IUPAC name of 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine (CID 23343765) is 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine.
What is the SMILES notation for 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine?
The canonical SMILES for 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine is CCCCCCCCCCCC/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine?
The InChIKey is PDNXLHPWCMLLAA-ZTKZIYFRSA-N. The full InChI is InChI=1S/C26H35Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-18-29-20-22-12-15-24(16-13-22)30-21-23-14-17-25(27)26(28)19-23/h12-17,19-20H,2-11,18,21H2,1H3/b29-20+.
What are the key properties of 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine?
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine has a molecular weight of 448.48 g/mol, XLogP of 8.91, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine is sourced from PubChem (CID 23343765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).