4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline

C10H12BrCl2NO2 — CID 63686996

IUPAC4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline
SMILESCOC(CNc1c(Cl)cc(Br)cc1Cl)OC
InChIInChI=1S/C10H12BrCl2NO2/c1-15-9(16-2)5-14-10-7(12)3-6(11)4-8(10)13/h3-4,9,14H,5H2,1-2H3
InChIKeyDEYPJBLKJQGCMN-UHFFFAOYSA-N
MW329.02 g/mol
LogP3.79
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline

4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline (PubChem CID 63686996) has the molecular formula C10H12BrCl2NO2 and a molecular weight of 329.02 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline
PubChem CID63686996
Molecular FormulaC10H12BrCl2NO2
Molecular Weight329.02 g/mol
Exact Mass326.94
IUPAC Name4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline
SMILESCOC(CNc1c(Cl)cc(Br)cc1Cl)OC
InChIInChI=1S/C10H12BrCl2NO2/c1-15-9(16-2)5-14-10-7(12)3-6(11)4-8(10)13/h3-4,9,14H,5H2,1-2H3
InChIKeyDEYPJBLKJQGCMN-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.02
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281829
4-bromo-2,6-dichloro-N-(2-ethylbutyl)aniline
CID 28993156
N-[(4-bromo-2-chlorophenyl)methyl]-2,2-dimethoxyethanamine
CID 115651584
2,4,6-trichloro-N-(2,2-diethoxyethyl)aniline
CID 81093868
4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451560
3-bromo-5-chloro-N-(2,2-dimethoxyethyl)-2-methoxyaniline
CID 55233671
2-chloro-N-(2,2-dimethoxyethyl)-5-methylaniline
CID 107630559
4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
4-bromo-2,6-dichloro-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 63425141
5-bromo-N-(2,2-dimethoxyethyl)-2-methoxyaniline
CID 63697779
4-bromo-2,6-dichloro-N-(3-ethoxypropyl)aniline
CID 65175213

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline (CID 63686996) is 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline is COC(CNc1c(Cl)cc(Br)cc1Cl)OC.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline?
The InChIKey is DEYPJBLKJQGCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO2/c1-15-9(16-2)5-14-10-7(12)3-6(11)4-8(10)13/h3-4,9,14H,5H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline?
4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline has a molecular weight of 329.02 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2,2-dimethoxyethyl)aniline is sourced from PubChem (CID 63686996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).