5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline

C16H18BrNO2 — CID 61060250

IUPAC5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
SMILESCCOc1ccc(CNc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C16H18BrNO2/c1-3-20-14-7-4-12(5-8-14)11-18-15-10-13(17)6-9-16(15)19-2/h4-10,18H,3,11H2,1-2H3
InChIKeyKGJIAAGSBAMHIU-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.47
Rot. Bonds6

About 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline

5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline (PubChem CID 61060250) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
PubChem CID61060250
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline
SMILESCCOc1ccc(CNc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C16H18BrNO2/c1-3-20-14-7-4-12(5-8-14)11-18-15-10-13(17)6-9-16(15)19-2/h4-10,18H,3,11H2,1-2H3
InChIKeyKGJIAAGSBAMHIU-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

5-bromo-2-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]aniline
CID 63478094
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
4-[(5-bromo-2-methoxyanilino)methyl]benzamide
CID 61059474
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
CID 39422641
5-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxyaniline
CID 62122161
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-2-methoxyaniline
CID 61059947
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
5-bromo-2-chloro-N-[(4-propoxyphenyl)methyl]aniline
CID 63478441
5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline
CID 102910483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline?
The IUPAC name of 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline (CID 61060250) is 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline is CCOc1ccc(CNc2cc(Br)ccc2OC)cc1.
What is the InChIKey of 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline?
The InChIKey is KGJIAAGSBAMHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-3-20-14-7-4-12(5-8-14)11-18-15-10-13(17)6-9-16(15)19-2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline?
5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline 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 5-bromo-N-[(4-ethoxyphenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 61060250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).