N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine

C14H22BrNO2 — CID 65325974

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
SMILESCCOCCN(CC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H22BrNO2/c1-4-16(8-9-18-5-2)11-12-10-13(17-3)6-7-14(12)15/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyYDPJNXILGYMSOF-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.32
Rot. Bonds8

About N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine

N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine (PubChem CID 65325974) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
PubChem CID65325974
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
SMILESCCOCCN(CC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H22BrNO2/c1-4-16(8-9-18-5-2)11-12-10-13(17-3)6-7-14(12)15/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyYDPJNXILGYMSOF-UHFFFAOYSA-N
XLogP3.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-bromo-5-methoxyphenyl)methyl]-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

N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine
CID 65323211
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
[2-[[ethyl(propyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65322949
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 65325866
2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
CID 81056379
N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65323346
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102878820

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine (CID 65325974) is N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine is CCOCCN(CC)Cc1cc(OC)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine?
The InChIKey is YDPJNXILGYMSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-4-16(8-9-18-5-2)11-12-10-13(17-3)6-7-14(12)15/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine?
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine has a molecular weight of 316.24 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 65325974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).