1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine

C16H27NO4 — CID 103411540

IUPAC1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
SMILESCOCCOCCCOc1cc(OC)ccc1CC(C)N
InChIInChI=1S/C16H27NO4/c1-13(17)11-14-5-6-15(19-3)12-16(14)21-8-4-7-20-10-9-18-2/h5-6,12-13H,4,7-11,17H2,1-3H3
InChIKeyUAPIFMQWEUVENE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.02
Rot. Bonds11

About 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine

1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine (PubChem CID 103411540) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
PubChem CID103411540
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
SMILESCOCCOCCCOc1cc(OC)ccc1CC(C)N
InChIInChI=1S/C16H27NO4/c1-13(17)11-14-5-6-15(19-3)12-16(14)21-8-4-7-20-10-9-18-2/h5-6,12-13H,4,7-11,17H2,1-3H3
InChIKeyUAPIFMQWEUVENE-UHFFFAOYSA-N
XLogP2.02
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728377
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
CID 61269127
1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
N'-hydroxy-4-methoxy-2-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177799
1-[2-(4-methoxybutoxy)phenyl]propan-2-amine
CID 113437064

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine (CID 103411540) is 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine is COCCOCCCOc1cc(OC)ccc1CC(C)N.
What is the InChIKey of 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine?
The InChIKey is UAPIFMQWEUVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-13(17)11-14-5-6-15(19-3)12-16(14)21-8-4-7-20-10-9-18-2/h5-6,12-13H,4,7-11,17H2,1-3H3.
What are the key properties of 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine?
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine has a molecular weight of 297.40 g/mol, XLogP of 2.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine is sourced from PubChem (CID 103411540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).