4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline

C16H17Br2NO — CID 63449111

IUPAC4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
SMILESCOc1ccc(Br)cc1CNc1c(C)cc(Br)cc1C
InChIInChI=1S/C16H17Br2NO/c1-10-6-14(18)7-11(2)16(10)19-9-12-8-13(17)4-5-15(12)20-3/h4-8,19H,9H2,1-3H3
InChIKeyJEVUPTMPTHAERS-UHFFFAOYSA-N
MW399.13 g/mol
LogP5.45
Rot. Bonds4

About 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline

4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline (PubChem CID 63449111) has the molecular formula C16H17Br2NO and a molecular weight of 399.13 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
PubChem CID63449111
Molecular FormulaC16H17Br2NO
Molecular Weight399.13 g/mol
Exact Mass396.97
IUPAC Name4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
SMILESCOc1ccc(Br)cc1CNc1c(C)cc(Br)cc1C
InChIInChI=1S/C16H17Br2NO/c1-10-6-14(18)7-11(2)16(10)19-9-12-8-13(17)4-5-15(12)20-3/h4-8,19H,9H2,1-3H3
InChIKeyJEVUPTMPTHAERS-UHFFFAOYSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.13
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818043
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
CID 55193869
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
3-[(5-bromo-2-methoxyphenyl)methylamino]-N,N,4-trimethylbenzenesulfonamide
CID 78841896
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-methylphenol
CID 115951586

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline (CID 63449111) is 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline is COc1ccc(Br)cc1CNc1c(C)cc(Br)cc1C.
What is the InChIKey of 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline?
The InChIKey is JEVUPTMPTHAERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO/c1-10-6-14(18)7-11(2)16(10)19-9-12-8-13(17)4-5-15(12)20-3/h4-8,19H,9H2,1-3H3.
What are the key properties of 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline?
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline has a molecular weight of 399.13 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline is sourced from PubChem (CID 63449111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).