1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine

C13H20BrNO2 — CID 105164999

IUPAC1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cc(OC)ccc1Br
InChIInChI=1S/C13H20BrNO2/c1-4-15-13(9-17-5-2)11-8-10(16-3)6-7-12(11)14/h6-8,13,15H,4-5,9H2,1-3H3
InChIKeyCAFYFOMUEMRJEV-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.14
Rot. Bonds7

About 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine

1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 105164999) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
PubChem CID105164999
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cc(OC)ccc1Br
InChIInChI=1S/C13H20BrNO2/c1-4-15-13(9-17-5-2)11-8-10(16-3)6-7-12(11)14/h6-8,13,15H,4-5,9H2,1-3H3
InChIKeyCAFYFOMUEMRJEV-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 105139946
1-(2-bromo-4-methoxyphenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207435
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
N-[(2-bromo-5-methoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271187
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758
1-(2-bromo-5-methoxyphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 63528581
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105177265
1-(2-bromo-5-methoxyphenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105180870
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66448295
[1-(2-bromo-5-methoxyphenyl)-2-methoxyethyl]hydrazine
CID 105321682

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine (CID 105164999) is 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is CAFYFOMUEMRJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-4-15-13(9-17-5-2)11-8-10(16-3)6-7-12(11)14/h6-8,13,15H,4-5,9H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine?
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 302.21 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105164999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).