2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline

C16H17Br2NO2 — CID 103412284

IUPAC2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCc1ccccc1CNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C16H17Br2NO2/c1-20-10-12-6-4-3-5-11(12)9-19-15-8-16(21-2)14(18)7-13(15)17/h3-8,19H,9-10H2,1-2H3
InChIKeyLINBDHCGOOWHAP-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.98
Rot. Bonds6

About 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline

2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline (PubChem CID 103412284) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
PubChem CID103412284
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCc1ccccc1CNc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C16H17Br2NO2/c1-20-10-12-6-4-3-5-11(12)9-19-15-8-16(21-2)14(18)7-13(15)17/h3-8,19H,9-10H2,1-2H3
InChIKeyLINBDHCGOOWHAP-UHFFFAOYSA-N
XLogP4.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
CID 103413096
2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline
CID 103412160
N-(1-benzothiophen-3-ylmethyl)-2,4-dibromo-5-methoxyaniline
CID 103411269
2,4-dibromo-N-[(5-fluoro-2-methylphenyl)methyl]-5-methoxyaniline
CID 103413131
2,4-dibromo-N-[(2-fluoro-4-methoxyphenyl)methyl]-5-methoxyaniline
CID 103412830
4-chloro-2-[(2,4-dibromo-5-methoxyanilino)methyl]phenol
CID 103411754
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 61390986
2-bromo-N-[(2-methoxyphenyl)methyl]-5-methylaniline
CID 82761234
3-bromo-4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 104775708
2-bromo-4-iodo-N-[(2-methoxyphenyl)methyl]aniline
CID 114259087
2,4-dibromo-5-methoxy-N-(3-phenylprop-2-ynyl)aniline
CID 103412776

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline?
The IUPAC name of 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline (CID 103412284) is 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline?
The canonical SMILES for 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline is COCc1ccccc1CNc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline?
The InChIKey is LINBDHCGOOWHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-20-10-12-6-4-3-5-11(12)9-19-15-8-16(21-2)14(18)7-13(15)17/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline?
2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline has a molecular weight of 415.13 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline is sourced from PubChem (CID 103412284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).