N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline

C16H28N2O2 — CID 81056925

IUPACN-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
SMILESCCOCCN(C)c1ccc(CNCCOC)cc1C
InChIInChI=1S/C16H28N2O2/c1-5-20-11-9-18(3)16-7-6-15(12-14(16)2)13-17-8-10-19-4/h6-7,12,17H,5,8-11,13H2,1-4H3
InChIKeyOWLJGLRCPLMHQR-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.20
Rot. Bonds10

About N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline

N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline (PubChem CID 81056925) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
PubChem CID81056925
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
SMILESCCOCCN(C)c1ccc(CNCCOC)cc1C
InChIInChI=1S/C16H28N2O2/c1-5-20-11-9-18(3)16-7-6-15(12-14(16)2)13-17-8-10-19-4/h6-7,12,17H,5,8-11,13H2,1-4H3
InChIKeyOWLJGLRCPLMHQR-UHFFFAOYSA-N
XLogP2.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
CID 81058166
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
4-chloro-N-(2-ethoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 114852817
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline
CID 114062703
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline?
The IUPAC name of N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline (CID 81056925) is N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline.
What is the SMILES notation for N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline?
The canonical SMILES for N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline is CCOCCN(C)c1ccc(CNCCOC)cc1C.
What is the InChIKey of N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline?
The InChIKey is OWLJGLRCPLMHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-20-11-9-18(3)16-7-6-15(12-14(16)2)13-17-8-10-19-4/h6-7,12,17H,5,8-11,13H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline?
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline has a molecular weight of 280.41 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline is sourced from PubChem (CID 81056925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).