2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine

C15H25NO4 — CID 103401308

IUPAC2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine
SMILESCOCCOCCCOC(CN)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO4/c1-17-10-11-19-8-3-9-20-15(12-16)13-4-6-14(18-2)7-5-13/h4-7,15H,3,8-12,16H2,1-2H3
InChIKeyJKTWVTWRKPPORB-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.76
Rot. Bonds11

About 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine

2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine (PubChem CID 103401308) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine
PubChem CID103401308
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine
SMILESCOCCOCCCOC(CN)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO4/c1-17-10-11-19-8-3-9-20-15(12-16)13-4-6-14(18-2)7-5-13/h4-7,15H,3,8-12,16H2,1-2H3
InChIKeyJKTWVTWRKPPORB-UHFFFAOYSA-N
XLogP1.76
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.76
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

2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103176974
2-(2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]ethanamine
CID 103401296
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
1-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-methoxybenzene
CID 103405052
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-phenylethanamine
CID 103405244
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
(1S)-1-[4-[2-(3-methoxypropoxy)ethoxy]phenyl]propan-1-amine
CID 103177829

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine (CID 103401308) is 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine is COCCOCCCOC(CN)c1ccc(OC)cc1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is JKTWVTWRKPPORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-17-10-11-19-8-3-9-20-15(12-16)13-4-6-14(18-2)7-5-13/h4-7,15H,3,8-12,16H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine?
2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 283.37 g/mol, XLogP of 1.76, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propoxy]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 103401308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).