4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline

C12H16BrCl2NO — CID 106451560

IUPAC4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
SMILESCC(C)COCCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO/c1-8(2)7-17-4-3-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyRZYKKGWYEONNDB-UHFFFAOYSA-N
MW341.08 g/mol
LogP4.84
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline

4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline (PubChem CID 106451560) has the molecular formula C12H16BrCl2NO and a molecular weight of 341.08 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
PubChem CID106451560
Molecular FormulaC12H16BrCl2NO
Molecular Weight341.08 g/mol
Exact Mass338.98
IUPAC Name4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
SMILESCC(C)COCCNc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C12H16BrCl2NO/c1-8(2)7-17-4-3-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3
InChIKeyRZYKKGWYEONNDB-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.08
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451573
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
CID 65175213
5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
CID 107196857
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146
4-bromo-2,3-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 107788842
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
CID 63487856
5-bromo-2-fluoro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451652
4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829
4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115904861

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline (CID 106451560) is 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline is CC(C)COCCNc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline?
The InChIKey is RZYKKGWYEONNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrCl2NO/c1-8(2)7-17-4-3-16-12-10(14)5-9(13)6-11(12)15/h5-6,8,16H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline?
4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline has a molecular weight of 341.08 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline is sourced from PubChem (CID 106451560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).