2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline

C16H28N2O2 — CID 84749569

IUPAC2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
SMILESCCOCCCNCc1ccc(N(C)C)c(OCC)c1
InChIInChI=1S/C16H28N2O2/c1-5-19-11-7-10-17-13-14-8-9-15(18(3)4)16(12-14)20-6-2/h8-9,12,17H,5-7,10-11,13H2,1-4H3
InChIKeyRHZZLOXKDWFOOF-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.67
Rot. Bonds10

About 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline

2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline (PubChem CID 84749569) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
PubChem CID84749569
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline
SMILESCCOCCCNCc1ccc(N(C)C)c(OCC)c1
InChIInChI=1S/C16H28N2O2/c1-5-19-11-7-10-17-13-14-8-9-15(18(3)4)16(12-14)20-6-2/h8-9,12,17H,5-7,10-11,13H2,1-4H3
InChIKeyRHZZLOXKDWFOOF-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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'}

Analyze 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline
CID 84747186
N-[[4-(dimethylamino)-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 84749573
N-butyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749591
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 4716407
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17290583
3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17290637
N-cyclohexyl-2-ethoxy-N-methyl-4-(propylaminomethyl)aniline
CID 84749081
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65176289
4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
CID 4719418
2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
CID 84749434

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline (CID 84749569) is 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline is CCOCCCNCc1ccc(N(C)C)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline?
The InChIKey is RHZZLOXKDWFOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-19-11-7-10-17-13-14-8-9-15(18(3)4)16(12-14)20-6-2/h8-9,12,17H,5-7,10-11,13H2,1-4H3.
What are the key properties of 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline?
2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline has a molecular weight of 280.41 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(3-ethoxypropylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 84749569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).