N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline

C16H18BrNO2 — CID 43088137

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCc1cc(Br)ccc1OC
InChIInChI=1S/C16H18BrNO2/c1-3-20-16-7-5-4-6-14(16)18-11-12-10-13(17)8-9-15(12)19-2/h4-10,18H,3,11H2,1-2H3
InChIKeyDIEZFZURKLFHRX-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.47
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline

N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline (PubChem CID 43088137) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
PubChem CID43088137
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
SMILESCCOc1ccccc1NCc1cc(Br)ccc1OC
InChIInChI=1S/C16H18BrNO2/c1-3-20-16-7-5-4-6-14(16)18-11-12-10-13(17)8-9-15(12)19-2/h4-10,18H,3,11H2,1-2H3
InChIKeyDIEZFZURKLFHRX-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121511
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
2-[(5-bromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43244253
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfonylaniline
CID 43724648
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
N-[(5-bromo-2-fluorophenyl)methyl]-2-propoxyaniline
CID 43682226
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxyaniline
CID 28972860

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline (CID 43088137) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline is CCOc1ccccc1NCc1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline?
The InChIKey is DIEZFZURKLFHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-3-20-16-7-5-4-6-14(16)18-11-12-10-13(17)8-9-15(12)19-2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline has a molecular weight of 336.23 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline is sourced from PubChem (CID 43088137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).