N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine

C22H32FN — CID 20657092

IUPACN-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
SMILESC=Nc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1F
InChIInChI=1S/C22H32FN/c1-16-3-10-19(11-4-16)20-12-7-17(8-13-20)5-6-18-9-14-22(24-2)21(23)15-18/h9,14-17,19-20H,2-8,10-13H2,1H3
InChIKeyMZYGTCBIEIFKBJ-UHFFFAOYSA-N
MW329.50 g/mol
LogP6.72
Rot. Bonds5

About N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine

N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine (PubChem CID 20657092) has the molecular formula C22H32FN and a molecular weight of 329.50 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
PubChem CID20657092
Molecular FormulaC22H32FN
Molecular Weight329.50 g/mol
Exact Mass329.25
IUPAC NameN-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine
SMILESC=Nc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1F
InChIInChI=1S/C22H32FN/c1-16-3-10-19(11-4-16)20-12-7-17(8-13-20)5-6-18-9-14-22(24-2)21(23)15-18/h9,14-17,19-20H,2-8,10-13H2,1H3
InChIKeyMZYGTCBIEIFKBJ-UHFFFAOYSA-N
XLogP6.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.50
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine?
The IUPAC name of N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine (CID 20657092) is N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine.
What is the SMILES notation for N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine?
The canonical SMILES for N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine is C=Nc1ccc(CCC2CCC(C3CCC(C)CC3)CC2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine?
The InChIKey is MZYGTCBIEIFKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN/c1-16-3-10-19(11-4-16)20-12-7-17(8-13-20)5-6-18-9-14-22(24-2)21(23)15-18/h9,14-17,19-20H,2-8,10-13H2,1H3.
What are the key properties of N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine?
N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine has a molecular weight of 329.50 g/mol, XLogP of 6.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 20657092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).