2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline

C15H14Br2ClNO — CID 43772623

IUPAC2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c1-9-3-4-14(13(18)5-9)19-8-10-6-11(16)7-12(17)15(10)20-2/h3-7,19H,8H2,1-2H3
InChIKeyFOJUREHCBHPHDO-UHFFFAOYSA-N
MW419.54 g/mol
LogP5.79
Rot. Bonds4

About 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline

2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline (PubChem CID 43772623) has the molecular formula C15H14Br2ClNO and a molecular weight of 419.54 g/mol. Its IUPAC name is 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
PubChem CID43772623
Molecular FormulaC15H14Br2ClNO
Molecular Weight419.54 g/mol
Exact Mass416.91
IUPAC Name2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
SMILESCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1Cl
InChIInChI=1S/C15H14Br2ClNO/c1-9-3-4-14(13(18)5-9)19-8-10-6-11(16)7-12(17)15(10)20-2/h3-7,19H,8H2,1-2H3
InChIKeyFOJUREHCBHPHDO-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-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 43763039
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-fluoro-2-methylaniline
CID 43764075
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
4-chloro-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43780525
2-bromo-6-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 107610436
2-chloro-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-4-methylaniline
CID 43772637
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4715898
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]benzoic acid
CID 43774575
N-[[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126142554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline (CID 43772623) is 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline is COc1c(Br)cc(Br)cc1CNc1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline?
The InChIKey is FOJUREHCBHPHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO/c1-9-3-4-14(13(18)5-9)19-8-10-6-11(16)7-12(17)15(10)20-2/h3-7,19H,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline?
2-chloro-N-[(3,5-dibromo-2-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-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 43772623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).