2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline

C15H14Br2ClNO — CID 65022685

IUPAC2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2c(Br)cc(C)cc2Br)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c1-9-5-11(16)15(12(17)6-9)19-8-10-3-4-14(20-2)13(18)7-10/h3-7,19H,8H2,1-2H3
InChIKeyQZNNKZYOZCLPAT-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.79
Rot. Bonds4

About 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline

2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline (PubChem CID 65022685) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline
PubChem CID65022685
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1ccc(CNc2c(Br)cc(C)cc2Br)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c1-9-5-11(16)15(12(17)6-9)19-8-10-3-4-14(20-2)13(18)7-10/h3-7,19H,8H2,1-2H3
InChIKeyQZNNKZYOZCLPAT-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-N-[(3,4-dimethoxyphenyl)methyl]-4-methylaniline
CID 28984269
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
2-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82762114
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
5-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 102852974
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
3-bromo-N-[(3-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106816897
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418
3-bromo-4-[(3-chloro-4-methoxyphenyl)methylamino]benzonitrile
CID 65021412

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline (CID 65022685) is 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline is COc1ccc(CNc2c(Br)cc(C)cc2Br)cc1Cl.
What is the InChIKey of 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline?
The InChIKey is QZNNKZYOZCLPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-9-5-11(16)15(12(17)6-9)19-8-10-3-4-14(20-2)13(18)7-10/h3-7,19H,8H2,1-2H3.
What are the key properties of 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline?
2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline has a molecular weight of 419.54 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 65022685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).