1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine

C17H19N — CID 58667257

IUPAC1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
SMILESC/C(=N\[C@H](C)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H19N/c1-13-9-11-17(12-10-13)15(3)18-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3/b18-15+/t14-/m1/s1
InChIKeySXKIMKZLCAIDFO-GBUWSYLDSA-N
MW237.35 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine

1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine (PubChem CID 58667257) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
PubChem CID58667257
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
SMILESC/C(=N\[C@H](C)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H19N/c1-13-9-11-17(12-10-13)15(3)18-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3/b18-15+/t14-/m1/s1
InChIKeySXKIMKZLCAIDFO-GBUWSYLDSA-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

N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
CID 22603744
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-(4-chlorophenyl)ethyl]-1-phenylethanimine
CID 22603743
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
methyl N-(4-methylphenyl)-N'-[(1S)-1-phenylethyl]carbamimidothioate
CID 14230954
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
2-ethoxyethyl N-(4-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296539
4-methyl-N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]aniline
CID 50900534
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
4-(1-phenylethylimino)pentan-2-one
CID 56976163
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine (CID 58667257) is 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine is C/C(=N\[C@H](C)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine?
The InChIKey is SXKIMKZLCAIDFO-GBUWSYLDSA-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/h4-12,14H,1-3H3/b18-15+/t14-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine?
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine 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 1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine is sourced from PubChem (CID 58667257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).