ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine

C21H30N2O2 — CID 159320908

IUPACethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine
SMILESC/N=C/c1ccccc1OCOc1ccccc1/C=N/C.CC.CC
InChIInChI=1S/C17H18N2O2.2C2H6/c1-18-11-14-7-3-5-9-16(14)20-13-21-17-10-6-4-8-15(17)12-19-2;2*1-2/h3-12H,13H2,1-2H3;2*1-2H3/b18-11+,19-12+;;
InChIKeyKWEOQHDWSBQKLC-IZJQDONGSA-N
MW342.48 g/mol
LogP5.25
Rot. Bonds6

About ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine

ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine (PubChem CID 159320908) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine
PubChem CID159320908
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Nameethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine
SMILESC/N=C/c1ccccc1OCOc1ccccc1/C=N/C.CC.CC
InChIInChI=1S/C17H18N2O2.2C2H6/c1-18-11-14-7-3-5-9-16(14)20-13-21-17-10-6-4-8-15(17)12-19-2;2*1-2/h3-12H,13H2,1-2H3;2*1-2H3/b18-11+,19-12+;;
InChIKeyKWEOQHDWSBQKLC-IZJQDONGSA-N
XLogP5.25
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 14715139
N-methyl-1-(2-methyl-3-propoxyphenyl)methanimine
CID 162436192
(E)-N-ethoxy-1-(2-ethoxyphenyl)methanimine
CID 134892743
1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
CID 67897520
ethane;2-(methyliminomethyl)phenol
CID 136650397
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
N-methyl-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]methanamine
CID 110507385
N-[(E)-(2-pentoxyphenyl)methylideneamino]methanamine
CID 110338518
(E)-1-[2-(2-methylpropoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 124605391
1-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 2226105

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine?
The IUPAC name of ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine (CID 159320908) is ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine.
What is the SMILES notation for ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine?
The canonical SMILES for ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine is C/N=C/c1ccccc1OCOc1ccccc1/C=N/C.CC.CC.
What is the InChIKey of ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine?
The InChIKey is KWEOQHDWSBQKLC-IZJQDONGSA-N. The full InChI is InChI=1S/C17H18N2O2.2C2H6/c1-18-11-14-7-3-5-9-16(14)20-13-21-17-10-6-4-8-15(17)12-19-2;2*1-2/h3-12H,13H2,1-2H3;2*1-2H3/b18-11+,19-12+;;.
What are the key properties of ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine?
ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine has a molecular weight of 342.48 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine is sourced from PubChem (CID 159320908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).