2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline

C15H24BrNO3 — CID 104562698

IUPAC2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline
SMILESCOCCOCCOCCNc1c(C)cc(C)cc1Br
InChIInChI=1S/C15H24BrNO3/c1-12-10-13(2)15(14(16)11-12)17-4-5-19-8-9-20-7-6-18-3/h10-11,17H,4-9H2,1-3H3
InChIKeyZIKGARRBZHTWRG-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.16
Rot. Bonds10

About 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline

2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline (PubChem CID 104562698) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline
PubChem CID104562698
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline
SMILESCOCCOCCOCCNc1c(C)cc(C)cc1Br
InChIInChI=1S/C15H24BrNO3/c1-12-10-13(2)15(14(16)11-12)17-4-5-19-8-9-20-7-6-18-3/h10-11,17H,4-9H2,1-3H3
InChIKeyZIKGARRBZHTWRG-UHFFFAOYSA-N
XLogP3.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromo-N-(2-methoxyethyl)-4-methylaniline
CID 28991485
2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline
CID 103033502
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
2,6-dichloro-1-N-[2-(2-methoxyethoxy)ethyl]benzene-1,4-diamine
CID 106890231
methyl 3-bromo-2-[2-(3,5-dimethylphenoxy)ethylamino]-5-methylbenzoate
CID 18802820
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2,4-dimethylaniline
CID 112752565
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
2,6-diethyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104562158
5-bromo-N-[2-(3-methoxypropoxy)ethyl]-2-methylaniline
CID 103178607
2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide
CID 81496528

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline?
The IUPAC name of 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline (CID 104562698) is 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline.
What is the SMILES notation for 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline?
The canonical SMILES for 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline is COCCOCCOCCNc1c(C)cc(C)cc1Br.
What is the InChIKey of 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline?
The InChIKey is ZIKGARRBZHTWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-12-10-13(2)15(14(16)11-12)17-4-5-19-8-9-20-7-6-18-3/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline?
2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline has a molecular weight of 346.27 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline is sourced from PubChem (CID 104562698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).