1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine

C17H18BrNO2 — CID 19582469

IUPAC1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
SMILESCCOc1cc(Br)c(/C=N/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H18BrNO2/c1-4-21-17-10-15(18)13(9-16(17)20-3)11-19-14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3/b19-11+
InChIKeyBOPDQXGDFBHCGG-YBFXNURJSA-N
MW348.24 g/mol
LogP4.92
Rot. Bonds5

About 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine

1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine (PubChem CID 19582469) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
PubChem CID19582469
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
SMILESCCOc1cc(Br)c(/C=N/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C17H18BrNO2/c1-4-21-17-10-15(18)13(9-16(17)20-3)11-19-14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3/b19-11+
InChIKeyBOPDQXGDFBHCGG-YBFXNURJSA-N
XLogP4.92
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 102419767
1-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-N-(4-bromophenyl)methanimine
CID 19655769
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 954154
N-[(Z)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylaniline
CID 51415549
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
5-bromo-2-methoxy-4-[(4-methoxyphenyl)iminomethyl]phenol
CID 137062216
ethyl 2-[4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenoxy]acetate
CID 1478243
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630190
N-[(E)-(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126047866

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine (CID 19582469) is 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine is CCOc1cc(Br)c(/C=N/c2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine?
The InChIKey is BOPDQXGDFBHCGG-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-4-21-17-10-15(18)13(9-16(17)20-3)11-19-14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3/b19-11+.
What are the key properties of 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine?
1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine has a molecular weight of 348.24 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 19582469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).