N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine

C18H21N — CID 170097315

IUPACN-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine
SMILESC=Nc1ccccc1CCCCc1ccccc1C
InChIInChI=1S/C18H21N/c1-15-9-3-4-10-16(15)11-5-6-12-17-13-7-8-14-18(17)19-2/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyXULIAQAEMLVCDW-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.89
Rot. Bonds6

About N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine

N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine (PubChem CID 170097315) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine
PubChem CID170097315
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine
SMILESC=Nc1ccccc1CCCCc1ccccc1C
InChIInChI=1S/C18H21N/c1-15-9-3-4-10-16(15)11-5-6-12-17-13-7-8-14-18(17)19-2/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyXULIAQAEMLVCDW-UHFFFAOYSA-N
XLogP4.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
N-(2-propylphenyl)methanimine
CID 126659165
1-methyl-2-pentylbenzene
CID 524553
1-methyl-2-oct-7-enylbenzene
CID 18786509
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
CID 57429570
CID 57429570
N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859
1-methyl-2-[5-(4-methylphenyl)pentyl]benzene
CID 173152052
dichloro-[3-(2-methylphenyl)propyl]silane
CID 158078615
CID 140700178
CID 140700178
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine?
The IUPAC name of N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine (CID 170097315) is N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine.
What is the SMILES notation for N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine?
The canonical SMILES for N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine is C=Nc1ccccc1CCCCc1ccccc1C.
What is the InChIKey of N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine?
The InChIKey is XULIAQAEMLVCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-15-9-3-4-10-16(15)11-5-6-12-17-13-7-8-14-18(17)19-2/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3.
What are the key properties of N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine?
N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine has a molecular weight of 251.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylphenyl)butyl]phenyl]methanimine is sourced from PubChem (CID 170097315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).