3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline

C15H15BrClNO — CID 107630358

IUPAC3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
SMILESCOc1cccc(Cl)c1CNc1cccc(Br)c1C
InChIInChI=1S/C15H15BrClNO/c1-10-12(16)5-3-7-14(10)18-9-11-13(17)6-4-8-15(11)19-2/h3-8,18H,9H2,1-2H3
InChIKeyLCLYLQMHXITBJA-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.03
Rot. Bonds4

About 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline

3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline (PubChem CID 107630358) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
PubChem CID107630358
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
SMILESCOc1cccc(Cl)c1CNc1cccc(Br)c1C
InChIInChI=1S/C15H15BrClNO/c1-10-12(16)5-3-7-14(10)18-9-11-13(17)6-4-8-15(11)19-2/h3-8,18H,9H2,1-2H3
InChIKeyLCLYLQMHXITBJA-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-[(2-chloro-6-methoxyphenyl)methylamino]benzenecarbothioamide
CID 103292612
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-3-nitroaniline
CID 104815836
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71913623
3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954500
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline (CID 107630358) is 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline is COc1cccc(Cl)c1CNc1cccc(Br)c1C.
What is the InChIKey of 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline?
The InChIKey is LCLYLQMHXITBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10-12(16)5-3-7-14(10)18-9-11-13(17)6-4-8-15(11)19-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline?
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline has a molecular weight of 340.65 g/mol, XLogP of 5.03, 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-chloro-6-methoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 107630358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).