1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine

C11H16BrNO2 — CID 62911727

IUPAC1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
SMILESCOCCOc1ccc(C(C)N)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-8(13)9-3-4-11(10(12)7-9)15-6-5-14-2/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyODURJRRKNRDHIU-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.49
Rot. Bonds5

About 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine

1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine (PubChem CID 62911727) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
PubChem CID62911727
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
SMILESCOCCOc1ccc(C(C)N)cc1Br
InChIInChI=1S/C11H16BrNO2/c1-8(13)9-3-4-11(10(12)7-9)15-6-5-14-2/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeyODURJRRKNRDHIU-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
(1R)-1-[3-bromo-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956397
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
(1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 78938265
6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
CID 104658143
(1S)-1-[3-chloro-4-(4-methoxybutoxy)phenyl]ethanamine
CID 113436828
[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine
CID 104658151

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine (CID 62911727) is 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine is COCCOc1ccc(C(C)N)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine?
The InChIKey is ODURJRRKNRDHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8(13)9-3-4-11(10(12)7-9)15-6-5-14-2/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine?
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 62911727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).