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

C16H18BrNO3 — CID 61061133

IUPAC5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(CNc2cc(Br)ccc2OC)c(OC)c1
InChIInChI=1S/C16H18BrNO3/c1-19-13-6-4-11(16(9-13)21-3)10-18-14-8-12(17)5-7-15(14)20-2/h4-9,18H,10H2,1-3H3
InChIKeyBVGOITNZBRQWCY-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.09
Rot. Bonds6

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

5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline (PubChem CID 61061133) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
PubChem CID61061133
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
SMILESCOc1ccc(CNc2cc(Br)ccc2OC)c(OC)c1
InChIInChI=1S/C16H18BrNO3/c1-19-13-6-4-11(16(9-13)21-3)10-18-14-8-12(17)5-7-15(14)20-2/h4-9,18H,10H2,1-3H3
InChIKeyBVGOITNZBRQWCY-UHFFFAOYSA-N
XLogP4.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-methoxyaniline
CID 63454126
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558
4-bromo-2,3-dichloro-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 107787753
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline?
The IUPAC name of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline (CID 61061133) is 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline is COc1ccc(CNc2cc(Br)ccc2OC)c(OC)c1.
What is the InChIKey of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline?
The InChIKey is BVGOITNZBRQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-19-13-6-4-11(16(9-13)21-3)10-18-14-8-12(17)5-7-15(14)20-2/h4-9,18H,10H2,1-3H3.
What are the key properties of 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline?
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline has a molecular weight of 352.23 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 61061133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).