4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline

C15H15Br2NO — CID 993814

IUPAC4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
SMILESCOc1ccc(CNc2ccc(Br)c(C)c2)cc1Br
InChIInChI=1S/C15H15Br2NO/c1-10-7-12(4-5-13(10)16)18-9-11-3-6-15(19-2)14(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyDMMDXDYWKFGNQX-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.14
Rot. Bonds4

About 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline

4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline (PubChem CID 993814) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
PubChem CID993814
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
SMILESCOc1ccc(CNc2ccc(Br)c(C)c2)cc1Br
InChIInChI=1S/C15H15Br2NO/c1-10-7-12(4-5-13(10)16)18-9-11-3-6-15(19-2)14(17)8-11/h3-8,18H,9H2,1-2H3
InChIKeyDMMDXDYWKFGNQX-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

4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 17367764
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311
3-bromo-N-[(3-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106816897
4-[(4-bromo-3-methylanilino)methyl]-2-methoxybenzonitrile
CID 106786848
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxyaniline
CID 63997239
N-[(3-bromo-4-methoxyphenyl)methyl]-3-iodoaniline
CID 43229966
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126128810
N-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126119216
N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylsulfonylaniline
CID 43426154
N-[(3-bromo-4-methylphenyl)methyl]-4-chloro-3-methoxyaniline
CID 107621235
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline (CID 993814) is 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline is COc1ccc(CNc2ccc(Br)c(C)c2)cc1Br.
What is the InChIKey of 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline?
The InChIKey is DMMDXDYWKFGNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10-7-12(4-5-13(10)16)18-9-11-3-6-15(19-2)14(17)8-11/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline?
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-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 4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline is sourced from PubChem (CID 993814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).