1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine

C22H21NO — CID 101125000

IUPAC1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
SMILESCOc1ccc(-c2ccc(/C=N/[C@@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO/c1-17(19-6-4-3-5-7-19)23-16-18-8-10-20(11-9-18)21-12-14-22(24-2)15-13-21/h3-17H,1-2H3/b23-16+/t17-/m0/s1
InChIKeyUEAKYKGKHPPBOJ-CSUZIONRSA-N
MW315.42 g/mol
LogP5.54
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine

1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 101125000) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
PubChem CID101125000
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
SMILESCOc1ccc(-c2ccc(/C=N/[C@@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO/c1-17(19-6-4-3-5-7-19)23-16-18-8-10-20(11-9-18)21-12-14-22(24-2)15-13-21/h3-17H,1-2H3/b23-16+/t17-/m0/s1
InChIKeyUEAKYKGKHPPBOJ-CSUZIONRSA-N
XLogP5.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.54
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
[4-[4-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phenyl] 4-methoxybenzoate
CID 101460971
1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
CID 134883991
1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
CID 21205334
2-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]ethanimine
CID 118455718
(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine
CID 11057576
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
zinc bis(2-[[(1R)-1-(4-methoxyphenyl)ethyl]iminomethyl]phenolate)
CID 139136381
[4-[4-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phenyl] 4-octoxybenzoate
CID 101460975
(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
CID 6157504

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine (CID 101125000) is 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine is COc1ccc(-c2ccc(/C=N/[C@@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is UEAKYKGKHPPBOJ-CSUZIONRSA-N. The full InChI is InChI=1S/C22H21NO/c1-17(19-6-4-3-5-7-19)23-16-18-8-10-20(11-9-18)21-12-14-22(24-2)15-13-21/h3-17H,1-2H3/b23-16+/t17-/m0/s1.
What are the key properties of 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine?
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 315.42 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 101125000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).