1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine

C18H21NO — CID 145260573

IUPAC1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
SMILESC=Cc1ccc(COc2ccc(C)cc2)cc1.C=NC
InChIInChI=1S/C16H16O.C2H5N/c1-3-14-6-8-15(9-7-14)12-17-16-10-4-13(2)5-11-16;1-3-2/h3-11H,1,12H2,2H3;1H2,2H3
InChIKeyHNNDOURKJFSKBN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.53
Rot. Bonds4

About 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine

1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine (PubChem CID 145260573) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine.

Molecular Properties

Compound Name1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
PubChem CID145260573
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
SMILESC=Cc1ccc(COc2ccc(C)cc2)cc1.C=NC
InChIInChI=1S/C16H16O.C2H5N/c1-3-14-6-8-15(9-7-14)12-17-16-10-4-13(2)5-11-16;1-3-2/h3-11H,1,12H2,2H3;1H2,2H3
InChIKeyHNNDOURKJFSKBN-UHFFFAOYSA-N
XLogP4.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.53
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-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
CID 132547089
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
CID 145260574
2-[4-[(4-ethenylphenyl)methoxy]phenyl]pyridine
CID 59748631
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
2-[1-[4-[(4-ethenylphenyl)methoxy]phenyl]ethylidene]propanedinitrile
CID 89231476
4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium
CID 20764928
CID 174976037
CID 174976037

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine?
The IUPAC name of 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine (CID 145260573) is 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine.
What is the SMILES notation for 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine?
The canonical SMILES for 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine is C=Cc1ccc(COc2ccc(C)cc2)cc1.C=NC.
What is the InChIKey of 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine?
The InChIKey is HNNDOURKJFSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C2H5N/c1-3-14-6-8-15(9-7-14)12-17-16-10-4-13(2)5-11-16;1-3-2/h3-11H,1,12H2,2H3;1H2,2H3.
What are the key properties of 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine?
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine has a molecular weight of 267.37 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine is sourced from PubChem (CID 145260573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).