ethane;1-(2-methoxyphenyl)-N-phenylmethanimine

C20H31NO — CID 176714892

IUPACethane;1-(2-methoxyphenyl)-N-phenylmethanimine
SMILESCC.CC.CC.COc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C14H13NO.3C2H6/c1-16-14-10-6-5-7-12(14)11-15-13-8-3-2-4-9-13;3*1-2/h2-11H,1H3;3*1-2H3/b15-11+;;;
InChIKeyJMEFHSBQIXNUKA-AKHNGERGSA-N
MW301.47 g/mol
LogP6.52
Rot. Bonds3

About ethane;1-(2-methoxyphenyl)-N-phenylmethanimine

ethane;1-(2-methoxyphenyl)-N-phenylmethanimine (PubChem CID 176714892) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is ethane;1-(2-methoxyphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Nameethane;1-(2-methoxyphenyl)-N-phenylmethanimine
PubChem CID176714892
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Nameethane;1-(2-methoxyphenyl)-N-phenylmethanimine
SMILESCC.CC.CC.COc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C14H13NO.3C2H6/c1-16-14-10-6-5-7-12(14)11-15-13-8-3-2-4-9-13;3*1-2/h2-11H,1H3;3*1-2H3/b15-11+;;;
InChIKeyJMEFHSBQIXNUKA-AKHNGERGSA-N
XLogP6.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.47
LogP ≤ 56.52
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-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 14715139
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
[2-(phenyliminomethyl)phenoxy] thiohypofluorite
CID 118561769
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone
CID 11812637
[2-(phenyliminomethyl)phenyl] benzenesulfonate
CID 126219717
N-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxyphenyl)methanimine
CID 4646455
2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyphenyl)-N-phenylmethanimine?
The IUPAC name of ethane;1-(2-methoxyphenyl)-N-phenylmethanimine (CID 176714892) is ethane;1-(2-methoxyphenyl)-N-phenylmethanimine.
What is the SMILES notation for ethane;1-(2-methoxyphenyl)-N-phenylmethanimine?
The canonical SMILES for ethane;1-(2-methoxyphenyl)-N-phenylmethanimine is CC.CC.CC.COc1ccccc1/C=N/c1ccccc1.
What is the InChIKey of ethane;1-(2-methoxyphenyl)-N-phenylmethanimine?
The InChIKey is JMEFHSBQIXNUKA-AKHNGERGSA-N. The full InChI is InChI=1S/C14H13NO.3C2H6/c1-16-14-10-6-5-7-12(14)11-15-13-8-3-2-4-9-13;3*1-2/h2-11H,1H3;3*1-2H3/b15-11+;;;.
What are the key properties of ethane;1-(2-methoxyphenyl)-N-phenylmethanimine?
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine has a molecular weight of 301.47 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyphenyl)-N-phenylmethanimine is sourced from PubChem (CID 176714892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).