2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C16H28N2O — CID 104931875

IUPAC2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNCCOCCN(C)C)c(C)c1
InChIInChI=1S/C16H28N2O/c1-13-10-14(2)16(15(3)11-13)12-17-6-8-19-9-7-18(4)5/h10-11,17H,6-9,12H2,1-5H3
InChIKeyXSYKOWGCNQEEMW-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.28
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 104931875) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID104931875
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNCCOCCN(C)C)c(C)c1
InChIInChI=1S/C16H28N2O/c1-13-10-14(2)16(15(3)11-13)12-17-6-8-19-9-7-18(4)5/h10-11,17H,6-9,12H2,1-5H3
InChIKeyXSYKOWGCNQEEMW-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105
N-(2-methoxyethyl)-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 113405525
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927
4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]-3,5-difluorobenzonitrile
CID 107166852
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
N-ethyl-2-[2-(2,4,6-trimethylphenyl)ethoxy]ethanamine
CID 65303192
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine
CID 107094322
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952766
2-[2-(dimethylamino)ethoxy]-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114127588
2-[2-(dimethylamino)ethoxy]-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 103952764
N-[(3-bromothiophen-2-yl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103080825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 104931875) is 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNCCOCCN(C)C)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is XSYKOWGCNQEEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-10-14(2)16(15(3)11-13)12-17-6-8-19-9-7-18(4)5/h10-11,17H,6-9,12H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 264.41 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 104931875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).