[4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine

C24H31N — CID 163272023

IUPAC[4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(CCC2CCCC(CCc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H31N/c1-19-5-7-20(8-6-19)9-13-22-3-2-4-23(17-22)14-10-21-11-15-24(18-25)16-12-21/h5-8,11-12,15-16,18,22-23,25H,2-4,9-10,13-14,17H2,1H3/b25-18+
InChIKeyXDQIYPJRIVGOJX-XIEYBQDHSA-N
MW333.52 g/mol
LogP6.36
Rot. Bonds7

About [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine

[4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine (PubChem CID 163272023) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound Name[4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine
PubChem CID163272023
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name[4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine
SMILES[H]/N=C/c1ccc(CCC2CCCC(CCc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C24H31N/c1-19-5-7-20(8-6-19)9-13-22-3-2-4-23(17-22)14-10-21-11-15-24(18-25)16-12-21/h5-8,11-12,15-16,18,22-23,25H,2-4,9-10,13-14,17H2,1H3/b25-18+
InChIKeyXDQIYPJRIVGOJX-XIEYBQDHSA-N
XLogP6.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
1-(3-cyclopentylpropyl)-4-methylbenzene
CID 149264652
4-[2-[(1R,3R)-3-[2-(4-cyanophenyl)ethyl]cyclohexyl]ethyl]benzonitrile
CID 163271987
3-[2-(4-methylphenyl)ethyl]-6-oxabicyclo[3.1.1]heptane
CID 177054467
4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
CID 163272018
3-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 64515561
1-[4-[2-(4-methylphenyl)ethyl]cyclohexyl]propan-1-amine
CID 145339871
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine?
The IUPAC name of [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine (CID 163272023) is [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine.
What is the SMILES notation for [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine?
The canonical SMILES for [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine is [H]/N=C/c1ccc(CCC2CCCC(CCc3ccc(C)cc3)C2)cc1.
What is the InChIKey of [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine?
The InChIKey is XDQIYPJRIVGOJX-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H31N/c1-19-5-7-20(8-6-19)9-13-22-3-2-4-23(17-22)14-10-21-11-15-24(18-25)16-12-21/h5-8,11-12,15-16,18,22-23,25H,2-4,9-10,13-14,17H2,1H3/b25-18+.
What are the key properties of [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine?
[4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine has a molecular weight of 333.52 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 163272023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).