1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine

C15H24BrNO3 — CID 103403029

IUPAC1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OCCCOCCOC
InChIInChI=1S/C15H24BrNO3/c1-12(17-2)14-11-13(16)5-6-15(14)20-8-4-7-19-10-9-18-3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyGZXIUAWZNXRTOV-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.16
Rot. Bonds10

About 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine

1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine (PubChem CID 103403029) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
PubChem CID103403029
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1OCCCOCCOC
InChIInChI=1S/C15H24BrNO3/c1-12(17-2)14-11-13(16)5-6-15(14)20-8-4-7-19-10-9-18-3/h5-6,11-12,17H,4,7-10H2,1-3H3
InChIKeyGZXIUAWZNXRTOV-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

1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]-N-methylethanamine
CID 62393265
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 62393180
1-[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]-N-methylethanamine
CID 103177693
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82975362
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
1-[4-bromo-2-(2-butoxyethoxy)phenyl]-N-methylethanamine
CID 82976374
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
N-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 82955315
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 62392944
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine (CID 103403029) is 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1OCCCOCCOC.
What is the InChIKey of 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine?
The InChIKey is GZXIUAWZNXRTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-12(17-2)14-11-13(16)5-6-15(14)20-8-4-7-19-10-9-18-3/h5-6,11-12,17H,4,7-10H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine?
1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine 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 1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 103403029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).