2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline

C10H13Br2NO — CID 28991485

IUPAC2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
SMILESCOCCNc1c(Br)cc(C)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-7-5-8(11)10(9(12)6-7)13-3-4-14-2/h5-6,13H,3-4H2,1-2H3
InChIKeySGAFSQDHDLXWMX-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.58
Rot. Bonds4

About 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline

2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline (PubChem CID 28991485) has the molecular formula C10H13Br2NO and a molecular weight of 323.03 g/mol. Its IUPAC name is 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
PubChem CID28991485
Molecular FormulaC10H13Br2NO
Molecular Weight323.03 g/mol
Exact Mass320.94
IUPAC Name2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
SMILESCOCCNc1c(Br)cc(C)cc1Br
InChIInChI=1S/C10H13Br2NO/c1-7-5-8(11)10(9(12)6-7)13-3-4-14-2/h5-6,13H,3-4H2,1-2H3
InChIKeySGAFSQDHDLXWMX-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.58
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

2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline
CID 104562698
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
2,6-dibromo-N-but-3-ynyl-4-methylaniline
CID 63655061
5-(2,6-dibromo-4-methylanilino)pentan-1-ol
CID 62226962
methyl 3-bromo-2-[2-(3,5-dimethylphenoxy)ethylamino]-5-methylbenzoate
CID 18802820
2,6-dibromo-N-(2,2-dimethylpropyl)-4-methylaniline
CID 63421879
2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline
CID 103033502
2,6-dibromo-4-methyl-N-(4-methylsulfanylbutyl)aniline
CID 103087335
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
5-bromo-N-(2-methoxyethyl)-2-methylaniline
CID 43806040
2,6-dibromo-N-(2,2-difluoroethyl)-4-methylaniline
CID 60922012

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline (CID 28991485) is 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline is COCCNc1c(Br)cc(C)cc1Br.
What is the InChIKey of 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline?
The InChIKey is SGAFSQDHDLXWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO/c1-7-5-8(11)10(9(12)6-7)13-3-4-14-2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline?
2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline has a molecular weight of 323.03 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline is sourced from PubChem (CID 28991485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).