3-bromo-N-(2-ethoxyethyl)-4-methylaniline

C11H16BrNO — CID 63334214

IUPAC3-bromo-N-(2-ethoxyethyl)-4-methylaniline
SMILESCCOCCNc1ccc(C)c(Br)c1
InChIInChI=1S/C11H16BrNO/c1-3-14-7-6-13-10-5-4-9(2)11(12)8-10/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyGURHOGBXDWFOFT-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.21
Rot. Bonds5

About 3-bromo-N-(2-ethoxyethyl)-4-methylaniline

3-bromo-N-(2-ethoxyethyl)-4-methylaniline (PubChem CID 63334214) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-bromo-N-(2-ethoxyethyl)-4-methylaniline.

Molecular Properties

Compound Name3-bromo-N-(2-ethoxyethyl)-4-methylaniline
PubChem CID63334214
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-bromo-N-(2-ethoxyethyl)-4-methylaniline
SMILESCCOCCNc1ccc(C)c(Br)c1
InChIInChI=1S/C11H16BrNO/c1-3-14-7-6-13-10-5-4-9(2)11(12)8-10/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyGURHOGBXDWFOFT-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.21
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-N-(2-ethoxyethyl)-3-methylaniline
CID 43387860
3-bromo-4-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 63334301
3-bromo-N-(4-methoxybutyl)-4-methylaniline
CID 115776882
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
N-[2-(2-ethoxyethoxy)ethyl]-3-methylaniline
CID 23009144
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
4-bromo-N-(3-ethoxypropyl)-3-fluoroaniline
CID 65437705
N-(3-ethoxypropyl)-4-fluoro-3-methylaniline
CID 65175339
4-bromo-N-(3-ethoxypropyl)-3,5-dimethylaniline
CID 107573608
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
2-[2-(3-bromo-4-methylanilino)ethoxy]-N'-hydroxypropanimidamide
CID 114266325
4-bromo-N-(3-ethoxypropyl)aniline
CID 65176368

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethoxyethyl)-4-methylaniline?
The IUPAC name of 3-bromo-N-(2-ethoxyethyl)-4-methylaniline (CID 63334214) is 3-bromo-N-(2-ethoxyethyl)-4-methylaniline.
What is the SMILES notation for 3-bromo-N-(2-ethoxyethyl)-4-methylaniline?
The canonical SMILES for 3-bromo-N-(2-ethoxyethyl)-4-methylaniline is CCOCCNc1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-ethoxyethyl)-4-methylaniline?
The InChIKey is GURHOGBXDWFOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-14-7-6-13-10-5-4-9(2)11(12)8-10/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 3-bromo-N-(2-ethoxyethyl)-4-methylaniline?
3-bromo-N-(2-ethoxyethyl)-4-methylaniline has a molecular weight of 258.16 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethoxyethyl)-4-methylaniline is sourced from PubChem (CID 63334214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).