(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine

C16H16BrNO2 — CID 55500944

IUPAC(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine
SMILESCOc1ccc(Br)cc1CO/N=C/c1ccccc1C
InChIInChI=1S/C16H16BrNO2/c1-12-5-3-4-6-13(12)10-18-20-11-14-9-15(17)7-8-16(14)19-2/h3-10H,11H2,1-2H3/b18-10+
InChIKeyWBQCNNIZZSBUCF-VCHYOVAHSA-N
MW334.21 g/mol
LogP4.32
Rot. Bonds5

About (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine

(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine (PubChem CID 55500944) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine
PubChem CID55500944
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine
SMILESCOc1ccc(Br)cc1CO/N=C/c1ccccc1C
InChIInChI=1S/C16H16BrNO2/c1-12-5-3-4-6-13(12)10-18-20-11-14-9-15(17)7-8-16(14)19-2/h3-10H,11H2,1-2H3/b18-10+
InChIKeyWBQCNNIZZSBUCF-VCHYOVAHSA-N
XLogP4.32
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(2-bromophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7671004
2-[(5-bromo-2-methoxyphenyl)methoxy]benzaldehyde
CID 60710592
(Z)-N-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-1-(2-fluorophenyl)methanimine
CID 9371563
(Z)-1-(2,3-dichlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methoxy]methanimine
CID 7701469
1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
N-(2,5-dimethoxyphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670070
3-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-methylphenyl)azetidine
CID 79460359
4-bromo-2-[3-bromo-2-(2-methylphenyl)propyl]-1-methoxybenzene
CID 79419172
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1,4-diium
CID 6981994
4-bromo-2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1-methoxybenzene
CID 66041337
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
CID 63458388
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine?
The IUPAC name of (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine (CID 55500944) is (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine?
The canonical SMILES for (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine is COc1ccc(Br)cc1CO/N=C/c1ccccc1C.
What is the InChIKey of (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine?
The InChIKey is WBQCNNIZZSBUCF-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-12-5-3-4-6-13(12)10-18-20-11-14-9-15(17)7-8-16(14)19-2/h3-10H,11H2,1-2H3/b18-10+.
What are the key properties of (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine?
(E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine has a molecular weight of 334.21 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-methylphenyl)methanimine is sourced from PubChem (CID 55500944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).