N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline

C21H18BrFN2O2 — CID 110840783

IUPACN-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
SMILESCOc1cccc(C=NNc2ccc(F)cc2)c1OCc1ccc(Br)cc1
InChIInChI=1S/C21H18BrFN2O2/c1-26-20-4-2-3-16(13-24-25-19-11-9-18(23)10-12-19)21(20)27-14-15-5-7-17(22)8-6-15/h2-13,25H,14H2,1H3
InChIKeyQLPFUSIBUZFGHC-UHFFFAOYSA-N
MW429.29 g/mol
LogP5.62
Rot. Bonds7

About N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline

N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline (PubChem CID 110840783) has the molecular formula C21H18BrFN2O2 and a molecular weight of 429.29 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
PubChem CID110840783
Molecular FormulaC21H18BrFN2O2
Molecular Weight429.29 g/mol
Exact Mass428.05
IUPAC NameN-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline
SMILESCOc1cccc(C=NNc2ccc(F)cc2)c1OCc1ccc(Br)cc1
InChIInChI=1S/C21H18BrFN2O2/c1-26-20-4-2-3-16(13-24-25-19-11-9-18(23)10-12-19)21(20)27-14-15-5-7-17(22)8-6-15/h2-13,25H,14H2,1H3
InChIKeyQLPFUSIBUZFGHC-UHFFFAOYSA-N
XLogP5.62
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.29
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340211
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
CID 110506232
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4174378
2-N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627205
5-[2-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71967175
N-[(E)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]aniline
CID 126087402
1-[(E)-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 44636928
N-[(E)-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110339208
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
5-[(2E)-2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110339186
N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383060

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline?
The IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline (CID 110840783) is N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline is COc1cccc(C=NNc2ccc(F)cc2)c1OCc1ccc(Br)cc1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline?
The InChIKey is QLPFUSIBUZFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O2/c1-26-20-4-2-3-16(13-24-25-19-11-9-18(23)10-12-19)21(20)27-14-15-5-7-17(22)8-6-15/h2-13,25H,14H2,1H3.
What are the key properties of N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline?
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline has a molecular weight of 429.29 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-fluoroaniline is sourced from PubChem (CID 110840783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).