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

C14H12BrCl2NO — CID 103478606

IUPAC2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(Cl)c1CNc1cccc(Cl)c1Br
InChIInChI=1S/C14H12BrCl2NO/c1-19-13-7-3-4-10(16)9(13)8-18-12-6-2-5-11(17)14(12)15/h2-7,18H,8H2,1H3
InChIKeyDZBBPCKJXURMKE-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.38
Rot. Bonds4

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

2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline (PubChem CID 103478606) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
PubChem CID103478606
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(Cl)c1CNc1cccc(Cl)c1Br
InChIInChI=1S/C14H12BrCl2NO/c1-19-13-7-3-4-10(16)9(13)8-18-12-6-2-5-11(17)14(12)15/h2-7,18H,8H2,1H3
InChIKeyDZBBPCKJXURMKE-UHFFFAOYSA-N
XLogP5.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358
2-bromo-6-[(2-chloro-6-methoxyphenyl)methylamino]benzenecarbothioamide
CID 103292612
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
2-bromo-3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 103478108
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
2-bromo-3-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103478939
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline (CID 103478606) is 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline is COc1cccc(Cl)c1CNc1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline?
The InChIKey is DZBBPCKJXURMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-13-7-3-4-10(16)9(13)8-18-12-6-2-5-11(17)14(12)15/h2-7,18H,8H2,1H3.
What are the key properties of 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline?
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline has a molecular weight of 361.07 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 103478606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).