4-bromo-2,6-dichloro-N-methylaniline

C7H6BrCl2N — CID 23345299

IUPAC4-bromo-2,6-dichloro-N-methylaniline
SMILESCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H6BrCl2N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyUPPRTGPCOAJSFT-UHFFFAOYSA-N
MW254.94 g/mol
LogP3.80
Rot. Bonds1

About 4-bromo-2,6-dichloro-N-methylaniline

4-bromo-2,6-dichloro-N-methylaniline (PubChem CID 23345299) has the molecular formula C7H6BrCl2N and a molecular weight of 254.94 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-methylaniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-methylaniline
PubChem CID23345299
Molecular FormulaC7H6BrCl2N
Molecular Weight254.94 g/mol
Exact Mass252.91
IUPAC Name4-bromo-2,6-dichloro-N-methylaniline
SMILESCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H6BrCl2N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3
InChIKeyUPPRTGPCOAJSFT-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.94
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline
CID 143308609
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
4-bromo-2-chloro-N-iodo-6-methylaniline
CID 163457566
5-bromo-3-chloro-1-N-methylbenzene-1,2-diamine
CID 142494313
4-bromo-2,6-dichloro-N-cyclopropylaniline
CID 103438876
4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829
3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea
CID 116654094
4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
CID 28993156
4-bromo-2,6-dichloro-N-methylbenzamide
CID 170992492
4-bromo-N-[1-(4-bromophenyl)ethyl]-2,6-dichloroaniline
CID 43126639
4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline
CID 63686996

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-methylaniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-methylaniline (CID 23345299) is 4-bromo-2,6-dichloro-N-methylaniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-methylaniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-methylaniline is CNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-methylaniline?
The InChIKey is UPPRTGPCOAJSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2N/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3,11H,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-methylaniline?
4-bromo-2,6-dichloro-N-methylaniline has a molecular weight of 254.94 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-methylaniline is sourced from PubChem (CID 23345299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).