2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine

C17H19NO — CID 118455718

IUPAC2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
SMILESCOc1ccc(C/C=N/[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-14(16-6-4-3-5-7-16)18-13-12-15-8-10-17(19-2)11-9-15/h3-11,13-14H,12H2,1-2H3/b18-13+/t14-/m0/s1
InChIKeyHWFYFSCRTQCDQS-RAOBZKRQSA-N
MW253.35 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine

2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine (PubChem CID 118455718) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
PubChem CID118455718
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
SMILESCOc1ccc(C/C=N/[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-14(16-6-4-3-5-7-16)18-13-12-15-8-10-17(19-2)11-9-15/h3-11,13-14H,12H2,1-2H3/b18-13+/t14-/m0/s1
InChIKeyHWFYFSCRTQCDQS-RAOBZKRQSA-N
XLogP4.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
ethane;3-(1-phenylethylimino)propanethial
CID 90970387
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
CID 134883991
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
2-(4-methoxyphenyl)-N-phenylethanimine oxide
CID 72617002
[4-[4-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phenyl] 4-methoxybenzoate
CID 101460971

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine (CID 118455718) is 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine is COc1ccc(C/C=N/[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine?
The InChIKey is HWFYFSCRTQCDQS-RAOBZKRQSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(16-6-4-3-5-7-16)18-13-12-15-8-10-17(19-2)11-9-15/h3-11,13-14H,12H2,1-2H3/b18-13+/t14-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine?
2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine has a molecular weight of 253.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine is sourced from PubChem (CID 118455718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).