3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine

C15H25NO3 — CID 2869969

IUPAC3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
SMILESCOCCCNCCOCCOc1ccc(C)cc1
InChIInChI=1S/C15H25NO3/c1-14-4-6-15(7-5-14)19-13-12-18-11-9-16-8-3-10-17-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyGHNGIXWLZNXLIQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.02
Rot. Bonds11

About 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine

3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 2869969) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
PubChem CID2869969
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
SMILESCOCCCNCCOCCOc1ccc(C)cc1
InChIInChI=1S/C15H25NO3/c1-14-4-6-15(7-5-14)19-13-12-18-11-9-16-8-3-10-17-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyGHNGIXWLZNXLIQ-UHFFFAOYSA-N
XLogP2.02
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869793
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine
CID 82353114
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine (CID 2869969) is 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine is COCCCNCCOCCOc1ccc(C)cc1.
What is the InChIKey of 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is GHNGIXWLZNXLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14-4-6-15(7-5-14)19-13-12-18-11-9-16-8-3-10-17-2/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine?
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 2869969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).