1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine

C22H19BrClNO2 — CID 126217830

IUPAC1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1
InChIInChI=1S/C22H19BrClNO2/c1-2-26-19-10-8-18(9-11-19)25-14-16-7-12-22(20(23)13-16)27-15-17-5-3-4-6-21(17)24/h3-14H,2,15H2,1H3/b25-14+
InChIKeyMDTDUBXOIDCGNJ-AFUMVMLFSA-N
MW444.76 g/mol
LogP6.83
Rot. Bonds7

About 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine

1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine (PubChem CID 126217830) has the molecular formula C22H19BrClNO2 and a molecular weight of 444.76 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
PubChem CID126217830
Molecular FormulaC22H19BrClNO2
Molecular Weight444.76 g/mol
Exact Mass443.03
IUPAC Name1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1
InChIInChI=1S/C22H19BrClNO2/c1-2-26-19-10-8-18(9-11-19)25-14-16-7-12-22(20(23)13-16)27-15-17-5-3-4-6-21(17)24/h3-14H,2,15H2,1H3/b25-14+
InChIKeyMDTDUBXOIDCGNJ-AFUMVMLFSA-N
XLogP6.83
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.83
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-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220882
1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220487
1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126221363
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
[2-bromo-4-[(4-ethoxyphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126221242
1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210174
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219557
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126224806
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126205744

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine (CID 126217830) is 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1.
What is the InChIKey of 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The InChIKey is MDTDUBXOIDCGNJ-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H19BrClNO2/c1-2-26-19-10-8-18(9-11-19)25-14-16-7-12-22(20(23)13-16)27-15-17-5-3-4-6-21(17)24/h3-14H,2,15H2,1H3/b25-14+.
What are the key properties of 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine has a molecular weight of 444.76 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 126217830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).