2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline

C14H10Br5NO — CID 63425377

IUPAC2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
SMILESCOc1c(Br)cc(Br)cc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H10Br5NO/c1-21-14-7(2-8(15)5-12(14)19)6-20-13-10(17)3-9(16)4-11(13)18/h2-5,20H,6H2,1H3
InChIKeyWKAMVCZIAOYLGC-UHFFFAOYSA-N
MW607.76 g/mol
LogP7.12
Rot. Bonds4

About 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline

2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline (PubChem CID 63425377) has the molecular formula C14H10Br5NO and a molecular weight of 607.76 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
PubChem CID63425377
Molecular FormulaC14H10Br5NO
Molecular Weight607.76 g/mol
Exact Mass602.67
IUPAC Name2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
SMILESCOc1c(Br)cc(Br)cc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H10Br5NO/c1-21-14-7(2-8(15)5-12(14)19)6-20-13-10(17)3-9(16)4-11(13)18/h2-5,20H,6H2,1H3
InChIKeyWKAMVCZIAOYLGC-UHFFFAOYSA-N
XLogP7.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 107610436
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 43763039
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17290053
2,6-dibromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]aniline
CID 107597573
2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
CID 43772623
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850641
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline (CID 63425377) is 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline is COc1c(Br)cc(Br)cc1CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline?
The InChIKey is WKAMVCZIAOYLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br5NO/c1-21-14-7(2-8(15)5-12(14)19)6-20-13-10(17)3-9(16)4-11(13)18/h2-5,20H,6H2,1H3.
What are the key properties of 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline?
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline has a molecular weight of 607.76 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 63425377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).