4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline

C15H15Br2NO — CID 55193869

IUPAC4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NCc1ccccc1Br
InChIInChI=1S/C15H15Br2NO/c1-10-7-12(16)8-14(19-2)15(10)18-9-11-5-3-4-6-13(11)17/h3-8,18H,9H2,1-2H3
InChIKeyPZZSSIGWUIBLMM-UHFFFAOYSA-N
MW385.10 g/mol
LogP5.14
Rot. Bonds4

About 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline

4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline (PubChem CID 55193869) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
PubChem CID55193869
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NCc1ccccc1Br
InChIInChI=1S/C15H15Br2NO/c1-10-7-12(16)8-14(19-2)15(10)18-9-11-5-3-4-6-13(11)17/h3-8,18H,9H2,1-2H3
InChIKeyPZZSSIGWUIBLMM-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

2-[(4-bromo-2-methoxy-6-methylanilino)methyl]benzonitrile
CID 103745125
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-methylphenol
CID 115951586
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-chlorophenol
CID 115951587
N-(1-benzothiophen-3-ylmethyl)-4-bromo-2-methoxy-6-methylaniline
CID 63449809
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
CID 60943377
4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315167
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 63449111
4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
CID 54864255
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
4-bromo-N-[(4-chlorothiophen-2-yl)methyl]-2-methoxy-6-methylaniline
CID 79420515

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline?
The IUPAC name of 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline (CID 55193869) is 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline.
What is the SMILES notation for 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline?
The canonical SMILES for 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline is COc1cc(Br)cc(C)c1NCc1ccccc1Br.
What is the InChIKey of 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline?
The InChIKey is PZZSSIGWUIBLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10-7-12(16)8-14(19-2)15(10)18-9-11-5-3-4-6-13(11)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline?
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-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-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline is sourced from PubChem (CID 55193869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).