N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine

C17H19N — CID 22603744

IUPACN-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
SMILESC/C(=N\C(C)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-13-9-11-17(12-10-13)15(3)18-14(2)16-7-5-4-6-8-16/h4-12,15H,1-3H3/b18-14+
InChIKeyITKKBYQSNNJJST-NBVRZTHBSA-N
MW237.35 g/mol
LogP4.57
Rot. Bonds3

About N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine

N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine (PubChem CID 22603744) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
PubChem CID22603744
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
SMILESC/C(=N\C(C)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19N/c1-13-9-11-17(12-10-13)15(3)18-14(2)16-7-5-4-6-8-16/h4-12,15H,1-3H3/b18-14+
InChIKeyITKKBYQSNNJJST-NBVRZTHBSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.57
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-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58667257
N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
CID 22603743
bis(1-(4-methylphenyl)ethanamine);1-(4-methylphenyl)ethanone;bis((1R)-N-[1-(4-methylphenyl)ethyl]-1-phenylethanamine);1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine;(1R)-1-phenylethanamine
CID 159994672
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11779029
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
1-methyl-4-(4-phenylpent-3-en-2-yl)benzene
CID 173216306
methyl N-(4-methylphenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate
CID 14230954
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
CID 64866886
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
1-(diaminomethylidene)-2-[1-(4-methylphenyl)ethyl]guanidine
CID 83036544

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine (CID 22603744) is N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine is C/C(=N\C(C)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine?
The InChIKey is ITKKBYQSNNJJST-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19N/c1-13-9-11-17(12-10-13)15(3)18-14(2)16-7-5-4-6-8-16/h4-12,15H,1-3H3/b18-14+.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine?
N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine has a molecular weight of 237.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine is sourced from PubChem (CID 22603744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).