3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine

C16H27NO2 — CID 105171033

IUPAC3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
SMILESCCNC(CCOCC)c1ccccc1OC(C)C
InChIInChI=1S/C16H27NO2/c1-5-17-15(11-12-18-6-2)14-9-7-8-10-16(14)19-13(3)4/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeyFSOGFYSUKBAXSE-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds9

About 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine

3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 105171033) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
PubChem CID105171033
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
SMILESCCNC(CCOCC)c1ccccc1OC(C)C
InChIInChI=1S/C16H27NO2/c1-5-17-15(11-12-18-6-2)14-9-7-8-10-16(14)19-13(3)4/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeyFSOGFYSUKBAXSE-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-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

3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116717002
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
N-ethyl-1-(2-propan-2-yloxyphenyl)-2-(thian-4-yl)ethanamine
CID 105171035
4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 105170923
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103487528
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine (CID 105171033) is 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine is CCNC(CCOCC)c1ccccc1OC(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is FSOGFYSUKBAXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-17-15(11-12-18-6-2)14-9-7-8-10-16(14)19-13(3)4/h7-10,13,15,17H,5-6,11-12H2,1-4H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine?
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 105171033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).