2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine

C14H22BrNO3 — CID 60906399

IUPAC2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
SMILESCCOCCOc1c(Br)cc(CCN)cc1OCC
InChIInChI=1S/C14H22BrNO3/c1-3-17-7-8-19-14-12(15)9-11(5-6-16)10-13(14)18-4-2/h9-10H,3-8,16H2,1-2H3
InChIKeyHGPGVHXNJNLIDY-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.76
Rot. Bonds9

About 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine

2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine (PubChem CID 60906399) has the molecular formula C14H22BrNO3 and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
PubChem CID60906399
Molecular FormulaC14H22BrNO3
Molecular Weight332.24 g/mol
Exact Mass331.08
IUPAC Name2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
SMILESCCOCCOc1c(Br)cc(CCN)cc1OCC
InChIInChI=1S/C14H22BrNO3/c1-3-17-7-8-19-14-12(15)9-11(5-6-16)10-13(14)18-4-2/h9-10H,3-8,16H2,1-2H3
InChIKeyHGPGVHXNJNLIDY-UHFFFAOYSA-N
XLogP2.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.76
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-(3-bromo-5-ethoxy-4-heptoxyphenyl)ethanamine
CID 63420977
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
1-bromo-5-(bromomethyl)-2-(2-ethoxyethoxy)-3-methoxybenzene
CID 43622794
methyl 2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]acetate
CID 54931340
2-[3-bromo-5-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 60905967
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol
CID 106453726
2-[4-(2-aminoethyl)-2-bromo-6-ethoxyphenoxy]-N-prop-2-ynylacetamide
CID 60906076
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
3-[4-(aminomethyl)-2-bromo-6-ethoxyphenoxy]propanamide
CID 43626862
1-[3,5-dibromo-4-(2-ethoxyethoxy)phenyl]propan-2-amine
CID 107739733
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine (CID 60906399) is 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine is CCOCCOc1c(Br)cc(CCN)cc1OCC.
What is the InChIKey of 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine?
The InChIKey is HGPGVHXNJNLIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3/c1-3-17-7-8-19-14-12(15)9-11(5-6-16)10-13(14)18-4-2/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine?
2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine has a molecular weight of 332.24 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 60906399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).