N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine

C22H31F2N — CID 147338785

IUPACN-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
SMILESC=Nc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C22H31F2N/c1-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(25-2)22(24)21(19)23/h13-18H,2-12H2,1H3
InChIKeyDDBNMNRPDKWXOQ-UHFFFAOYSA-N
MW347.49 g/mol
LogP6.86
Rot. Bonds5

About N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine

N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine (PubChem CID 147338785) has the molecular formula C22H31F2N and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
PubChem CID147338785
Molecular FormulaC22H31F2N
Molecular Weight347.49 g/mol
Exact Mass347.24
IUPAC NameN-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
SMILESC=Nc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C22H31F2N/c1-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(25-2)22(24)21(19)23/h13-18H,2-12H2,1H3
InChIKeyDDBNMNRPDKWXOQ-UHFFFAOYSA-N
XLogP6.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.49
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-pentylbenzene
CID 135193369
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-propylbenzene
CID 154607349
1-[2-(4-cyclohexylcyclohexyl)ethyl]-2,3-difluoro-4-methylbenzene
CID 142376936
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
CID 20683285
2,3-difluoro-1-pentyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene;2,3-difluoro-1-propyl-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 158295310
1-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164821
1-chloro-4-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluorobenzene
CID 18656484
[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl] 4-cyclohexylcyclohexane-1-carboxylate
CID 134387369
1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-(methoxymethyl)benzene
CID 18656507
1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-methoxybenzene
CID 18656504
2-chloro-3-fluoro-1-methoxy-4-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59705776
1-[2-(4-cyclobutylcyclohexyl)ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118119075

Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine?
The IUPAC name of N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine (CID 147338785) is N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine.
What is the SMILES notation for N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine?
The canonical SMILES for N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine is C=Nc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)c(F)c1F.
What is the InChIKey of N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine?
The InChIKey is DDBNMNRPDKWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N/c1-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(25-2)22(24)21(19)23/h13-18H,2-12H2,1H3.
What are the key properties of N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine?
N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine has a molecular weight of 347.49 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 147338785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).