N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine

C22H19BrFNO2 — CID 3388705

IUPACN-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine
SMILESCCOc1cccc(/C=N/c2ccc(Br)cc2)c1OCc1ccc(F)cc1
InChIInChI=1S/C22H19BrFNO2/c1-2-26-21-5-3-4-17(14-25-20-12-8-18(23)9-13-20)22(21)27-15-16-6-10-19(24)11-7-16/h3-14H,2,15H2,1H3/b25-14+
InChIKeyUUUWYXQCPIEICA-AFUMVMLFSA-N
MW428.30 g/mol
LogP6.32
Rot. Bonds7

About N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine

N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine (PubChem CID 3388705) has the molecular formula C22H19BrFNO2 and a molecular weight of 428.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine
PubChem CID3388705
Molecular FormulaC22H19BrFNO2
Molecular Weight428.30 g/mol
Exact Mass427.06
IUPAC NameN-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine
SMILESCCOc1cccc(/C=N/c2ccc(Br)cc2)c1OCc1ccc(F)cc1
InChIInChI=1S/C22H19BrFNO2/c1-2-26-21-5-3-4-17(14-25-20-12-8-18(23)9-13-20)22(21)27-15-16-6-10-19(24)11-7-16/h3-14H,2,15H2,1H3/b25-14+
InChIKeyUUUWYXQCPIEICA-AFUMVMLFSA-N
XLogP6.32
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.30
LogP ≤ 56.32
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

N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
CID 110840783
4-[[2-[(4-carboxyphenyl)iminomethyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193715
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223346
N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110339208
1-[4-[(4-bromophenyl)methoxy]-3-chloro-5-ethoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126221350
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
4-[[2-[(3-bromophenyl)iminomethyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126192828
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126225118
1-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-N-phenylmethanimine
CID 126208478

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine (CID 3388705) is N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine is CCOc1cccc(/C=N/c2ccc(Br)cc2)c1OCc1ccc(F)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine?
The InChIKey is UUUWYXQCPIEICA-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H19BrFNO2/c1-2-26-21-5-3-4-17(14-25-20-12-8-18(23)9-13-20)22(21)27-15-16-6-10-19(24)11-7-16/h3-14H,2,15H2,1H3/b25-14+.
What are the key properties of N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine?
N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine has a molecular weight of 428.30 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[3-ethoxy-2-[(4-fluorophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 3388705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).