3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine

C16H28N2O2 — CID 92921079

IUPAC3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCCNCc1ccc(OCCCN(C)C)c(OCC)c1
InChIInChI=1S/C16H28N2O2/c1-5-17-13-14-8-9-15(16(12-14)19-6-2)20-11-7-10-18(3)4/h8-9,12,17H,5-7,10-11,13H2,1-4H3
InChIKeyUIPYGRCKVQKODC-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.53
Rot. Bonds10

About 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine

3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 92921079) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID92921079
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCCNCc1ccc(OCCCN(C)C)c(OCC)c1
InChIInChI=1S/C16H28N2O2/c1-5-17-13-14-8-9-15(16(12-14)19-6-2)20-11-7-10-18(3)4/h8-9,12,17H,5-7,10-11,13H2,1-4H3
InChIKeyUIPYGRCKVQKODC-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine 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

2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
CID 39291383
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-ethoxyphenoxy]ethanol
CID 29242019
N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82097748
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
CID 92921241
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
N-[(3-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82364755
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294947
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
3-[2-bromo-4-(propylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 114524789

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine (CID 92921079) is 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine is CCNCc1ccc(OCCCN(C)C)c(OCC)c1.
What is the InChIKey of 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is UIPYGRCKVQKODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-17-13-14-8-9-15(16(12-14)19-6-2)20-11-7-10-18(3)4/h8-9,12,17H,5-7,10-11,13H2,1-4H3.
What are the key properties of 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine?
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 92921079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).