N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline

C24H25BrClNO2 — CID 126123665

IUPACN-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline
SMILESCCOc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1cccc(Cl)c1
InChIInChI=1S/C24H25BrClNO2/c1-4-28-23-13-19(14-27-22-10-5-7-16(2)17(22)3)12-21(25)24(23)29-15-18-8-6-9-20(26)11-18/h5-13,27H,4,14-15H2,1-3H3
InChIKeyNDXZYWGFKJLXTM-UHFFFAOYSA-N
MW474.83 g/mol
LogP7.31
Rot. Bonds8

About N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline

N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline (PubChem CID 126123665) has the molecular formula C24H25BrClNO2 and a molecular weight of 474.83 g/mol. Its IUPAC name is N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline
PubChem CID126123665
Molecular FormulaC24H25BrClNO2
Molecular Weight474.83 g/mol
Exact Mass473.08
IUPAC NameN-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline
SMILESCCOc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1cccc(Cl)c1
InChIInChI=1S/C24H25BrClNO2/c1-4-28-23-13-19(14-27-22-10-5-7-16(2)17(22)3)12-21(25)24(23)29-15-18-8-6-9-20(26)11-18/h5-13,27H,4,14-15H2,1-3H3
InChIKeyNDXZYWGFKJLXTM-UHFFFAOYSA-N
XLogP7.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.83
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,3-dimethylaniline
CID 126126981
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126128844
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126123491
N-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126125349
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-5-chloro-2-methylaniline
CID 126116027
N-[[3-bromo-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126181103
N-[(3-bromo-4-ethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126127933
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloroaniline
CID 5135171
N-[[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126126081
[2-bromo-4-[(2,3-dimethylanilino)methyl]-6-ethoxyphenyl] 4-methylbenzenesulfonate
CID 126137762
(2S)-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 51994660
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-methylaniline
CID 126124145

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline?
The IUPAC name of N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline (CID 126123665) is N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline is CCOc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1cccc(Cl)c1.
What is the InChIKey of N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline?
The InChIKey is NDXZYWGFKJLXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrClNO2/c1-4-28-23-13-19(14-27-22-10-5-7-16(2)17(22)3)12-21(25)24(23)29-15-18-8-6-9-20(26)11-18/h5-13,27H,4,14-15H2,1-3H3.
What are the key properties of N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline?
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline has a molecular weight of 474.83 g/mol, XLogP of 7.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2,3-dimethylaniline is sourced from PubChem (CID 126123665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).