2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine

C14H23NO3 — CID 104648792

IUPAC2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
SMILESCOCCCCOc1c(CCN)cccc1OC
InChIInChI=1S/C14H23NO3/c1-16-10-3-4-11-18-14-12(8-9-15)6-5-7-13(14)17-2/h5-7H,3-4,8-11,15H2,1-2H3
InChIKeyWEOQMAKWIMPGLT-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.00
Rot. Bonds9

About 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine

2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine (PubChem CID 104648792) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
PubChem CID104648792
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
SMILESCOCCCCOc1c(CCN)cccc1OC
InChIInChI=1S/C14H23NO3/c1-16-10-3-4-11-18-14-12(8-9-15)6-5-7-13(14)17-2/h5-7H,3-4,8-11,15H2,1-2H3
InChIKeyWEOQMAKWIMPGLT-UHFFFAOYSA-N
XLogP2.00
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine 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

2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
1-(bromomethyl)-3-methoxy-2-(3-methoxypropoxy)benzene
CID 60926789
2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22680824
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine (CID 104648792) is 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine is COCCCCOc1c(CCN)cccc1OC.
What is the InChIKey of 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine?
The InChIKey is WEOQMAKWIMPGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-16-10-3-4-11-18-14-12(8-9-15)6-5-7-13(14)17-2/h5-7H,3-4,8-11,15H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine?
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine is sourced from PubChem (CID 104648792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).