1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine

C23H21BrClNO2 — CID 126217459

IUPAC1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C23H21BrClNO2/c1-3-27-23-12-18(14-26-20-10-4-16(2)21(25)13-20)7-11-22(23)28-15-17-5-8-19(24)9-6-17/h4-14H,3,15H2,1-2H3/b26-14+
InChIKeyNDVIVWBMSJYSDD-VULFUBBASA-N
MW458.78 g/mol
LogP7.14
Rot. Bonds7

About 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine

1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine (PubChem CID 126217459) has the molecular formula C23H21BrClNO2 and a molecular weight of 458.78 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
PubChem CID126217459
Molecular FormulaC23H21BrClNO2
Molecular Weight458.78 g/mol
Exact Mass457.04
IUPAC Name1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C23H21BrClNO2/c1-3-27-23-12-18(14-26-20-10-4-16(2)21(25)13-20)7-11-22(23)28-15-17-5-8-19(24)9-6-17/h4-14H,3,15H2,1-2H3/b26-14+
InChIKeyNDVIVWBMSJYSDD-VULFUBBASA-N
XLogP7.14
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.78
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126220648
1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126206843
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
4-[[4-[(3-chloro-4-methylphenyl)iminomethyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 126214248
1-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126218213
2-[2-bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-ethoxyphenoxy]acetic acid
CID 126222878
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 126205504
1-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethylthiourea
CID 20998241
1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126214908
N'-[[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 4006167

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine?
The IUPAC name of 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine (CID 126217459) is 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine.
What is the SMILES notation for 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine?
The canonical SMILES for 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine?
The InChIKey is NDVIVWBMSJYSDD-VULFUBBASA-N. The full InChI is InChI=1S/C23H21BrClNO2/c1-3-27-23-12-18(14-26-20-10-4-16(2)21(25)13-20)7-11-22(23)28-15-17-5-8-19(24)9-6-17/h4-14H,3,15H2,1-2H3/b26-14+.
What are the key properties of 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine?
1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine has a molecular weight of 458.78 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine is sourced from PubChem (CID 126217459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).