2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine

C15H25NO3 — CID 104561561

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
SMILESCOCCOCCOCCNCc1ccc(C)cc1
InChIInChI=1S/C15H25NO3/c1-14-3-5-15(6-4-14)13-16-7-8-18-11-12-19-10-9-17-2/h3-6,16H,7-13H2,1-2H3
InChIKeyDEMHEMDRBKYZAM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.76
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine

2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 104561561) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID104561561
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
SMILESCOCCOCCOCCNCc1ccc(C)cc1
InChIInChI=1S/C15H25NO3/c1-14-3-5-15(6-4-14)13-16-7-8-18-11-12-19-10-9-17-2/h3-6,16H,7-13H2,1-2H3
InChIKeyDEMHEMDRBKYZAM-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 62120248
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine (CID 104561561) is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine is COCCOCCOCCNCc1ccc(C)cc1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is DEMHEMDRBKYZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14-3-5-15(6-4-14)13-16-7-8-18-11-12-19-10-9-17-2/h3-6,16H,7-13H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine?
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 1.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 104561561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).