3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline

C15H15Br2NO — CID 107583118

IUPAC3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(Br)c(CNc2cc(C)cc(Br)c2)c1
InChIInChI=1S/C15H15Br2NO/c1-10-5-12(16)8-13(6-10)18-9-11-7-14(19-2)3-4-15(11)17/h3-8,18H,9H2,1-2H3
InChIKeyXVIIQDUCVYPQAL-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.14
Rot. Bonds4

About 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline

3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline (PubChem CID 107583118) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
PubChem CID107583118
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(Br)c(CNc2cc(C)cc(Br)c2)c1
InChIInChI=1S/C15H15Br2NO/c1-10-5-12(16)8-13(6-10)18-9-11-7-14(19-2)3-4-15(11)17/h3-8,18H,9H2,1-2H3
InChIKeyXVIIQDUCVYPQAL-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.10
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147
N-[(2-bromo-5-methoxyphenyl)methyl]-4-ethoxyaniline
CID 65323910
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 65324051
N-[(2-bromo-5-methoxyphenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 103827943
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
CID 106863048
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
CID 107582300

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline (CID 107583118) is 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline is COc1ccc(Br)c(CNc2cc(C)cc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline?
The InChIKey is XVIIQDUCVYPQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10-5-12(16)8-13(6-10)18-9-11-7-14(19-2)3-4-15(11)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline?
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline has a molecular weight of 385.10 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 107583118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).