1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine

C15H25NO3 — CID 106450545

IUPAC1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(C(C)N)c(OCCOCC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)10-18-7-8-19-15-9-13(17-4)5-6-14(15)12(3)16/h5-6,9,11-12H,7-8,10,16H2,1-4H3
InChIKeyJQQFOQMKCVGFLN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.77
Rot. Bonds8

About 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine

1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine (PubChem CID 106450545) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
PubChem CID106450545
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(C(C)N)c(OCCOCC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-11(2)10-18-7-8-19-15-9-13(17-4)5-6-14(15)12(3)16/h5-6,9,11-12H,7-8,10,16H2,1-4H3
InChIKeyJQQFOQMKCVGFLN-UHFFFAOYSA-N
XLogP2.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]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

(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
(1R)-1-(2-but-3-enoxy-4-methoxyphenyl)ethanamine
CID 82001682
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
(1R)-1-[4-methoxy-2-(2-propan-2-ylsulfanylethoxy)phenyl]ethanamine
CID 114268547
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
4-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzonitrile
CID 106447586
1-(4-methoxy-2-pent-4-ynoxyphenyl)ethanamine
CID 113374151
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine (CID 106450545) is 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine is COc1ccc(C(C)N)c(OCCOCC(C)C)c1.
What is the InChIKey of 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine?
The InChIKey is JQQFOQMKCVGFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)10-18-7-8-19-15-9-13(17-4)5-6-14(15)12(3)16/h5-6,9,11-12H,7-8,10,16H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine?
1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 106450545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).