N-(4-methoxyphenyl)-2,2,2-triphenylethanimine

C27H23NO — CID 10872538

IUPACN-(4-methoxyphenyl)-2,2,2-triphenylethanimine
SMILESCOc1ccc(/N=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23NO/c1-29-26-19-17-25(18-20-26)28-21-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21H,1H3/b28-21+
InChIKeyLHYOKWLTWOQTFM-SGWCAAJKSA-N
MW377.49 g/mol
LogP6.43
Rot. Bonds6

About N-(4-methoxyphenyl)-2,2,2-triphenylethanimine

N-(4-methoxyphenyl)-2,2,2-triphenylethanimine (PubChem CID 10872538) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,2,2-triphenylethanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,2,2-triphenylethanimine
PubChem CID10872538
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC NameN-(4-methoxyphenyl)-2,2,2-triphenylethanimine
SMILESCOc1ccc(/N=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23NO/c1-29-26-19-17-25(18-20-26)28-21-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21H,1H3/b28-21+
InChIKeyLHYOKWLTWOQTFM-SGWCAAJKSA-N
XLogP6.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
CID 584090
N-(4-methoxyphenyl)-3-phenylprop-2-yn-1-imine
CID 10037064
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
1-methoxy-4-[nitroso(diphenyl)methyl]benzene
CID 88893098
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,2,2-triphenylethanimine?
The IUPAC name of N-(4-methoxyphenyl)-2,2,2-triphenylethanimine (CID 10872538) is N-(4-methoxyphenyl)-2,2,2-triphenylethanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-2,2,2-triphenylethanimine?
The canonical SMILES for N-(4-methoxyphenyl)-2,2,2-triphenylethanimine is COc1ccc(/N=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,2,2-triphenylethanimine?
The InChIKey is LHYOKWLTWOQTFM-SGWCAAJKSA-N. The full InChI is InChI=1S/C27H23NO/c1-29-26-19-17-25(18-20-26)28-21-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-21H,1H3/b28-21+.
What are the key properties of N-(4-methoxyphenyl)-2,2,2-triphenylethanimine?
N-(4-methoxyphenyl)-2,2,2-triphenylethanimine has a molecular weight of 377.49 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,2,2-triphenylethanimine is sourced from PubChem (CID 10872538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).