2-(2-bromo-4-methylphenoxy)-N-ethylethanamine

C11H16BrNO — CID 27186818

IUPAC2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccc(C)cc1Br
InChIInChI=1S/C11H16BrNO/c1-3-13-6-7-14-11-5-4-9(2)8-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyZPANXGDNCQKAPX-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.75
Rot. Bonds5

About 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine

2-(2-bromo-4-methylphenoxy)-N-ethylethanamine (PubChem CID 27186818) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
PubChem CID27186818
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccc(C)cc1Br
InChIInChI=1S/C11H16BrNO/c1-3-13-6-7-14-11-5-4-9(2)8-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyZPANXGDNCQKAPX-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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

N-[2-(2-bromo-4-methylphenoxy)ethyl]propan-1-amine
CID 29015180
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
N-[2-(2-bromo-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 55092828
4-(2-bromo-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2296576
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
2-(4-bromo-2,3-dimethylphenoxy)-N-ethylethanamine
CID 39290016
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
2-[2-(ethylamino)ethoxy]-5-methylbenzonitrile
CID 107931973
N-[2-(2-bromo-4-methylphenoxy)ethyl]acetamide
CID 3822965
2-(2-bromo-4-methylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 62598888
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
N-[3-(2-bromo-4-methylphenoxy)propyl]aniline
CID 63516517

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine (CID 27186818) is 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine is CCNCCOc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine?
The InChIKey is ZPANXGDNCQKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-13-6-7-14-11-5-4-9(2)8-10(11)12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine?
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-ethylethanamine is sourced from PubChem (CID 27186818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).