1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine

C25H24BrClN2O3 — CID 4124586

IUPAC1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C25H24BrClN2O3/c1-30-24-14-19(13-21(26)25(24)32-17-18-5-3-2-4-6-18)16-28-20-7-8-23(22(27)15-20)29-9-11-31-12-10-29/h2-8,13-16H,9-12,17H2,1H3/b28-16+
InChIKeySUGNODUXQUULQE-LQKURTRISA-N
MW515.84 g/mol
LogP6.28
Rot. Bonds7

About 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine

1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine (PubChem CID 4124586) has the molecular formula C25H24BrClN2O3 and a molecular weight of 515.84 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine
PubChem CID4124586
Molecular FormulaC25H24BrClN2O3
Molecular Weight515.84 g/mol
Exact Mass514.07
IUPAC Name1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C25H24BrClN2O3/c1-30-24-14-19(13-21(26)25(24)32-17-18-5-3-2-4-6-18)16-28-20-7-8-23(22(27)15-20)29-9-11-31-12-10-29/h2-8,13-16H,9-12,17H2,1H3/b28-16+
InChIKeySUGNODUXQUULQE-LQKURTRISA-N
XLogP6.28
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.84
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059948
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 5163742
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
(NE)-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
CID 6898200

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine (CID 4124586) is 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine is COc1cc(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine?
The InChIKey is SUGNODUXQUULQE-LQKURTRISA-N. The full InChI is InChI=1S/C25H24BrClN2O3/c1-30-24-14-19(13-21(26)25(24)32-17-18-5-3-2-4-6-18)16-28-20-7-8-23(22(27)15-20)29-9-11-31-12-10-29/h2-8,13-16H,9-12,17H2,1H3/b28-16+.
What are the key properties of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine?
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine has a molecular weight of 515.84 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 4124586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).