3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine

C16H27NO2 — CID 105144753

IUPAC3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCCNC(CCOCC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-17-16(11-12-18-6-2)14-7-9-15(10-8-14)19-13(3)4/h7-10,13,16-17H,5-6,11-12H2,1-4H3
InChIKeyIRSDXGIJGLAODQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds9

About 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine

3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 105144753) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
PubChem CID105144753
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
SMILESCCNC(CCOCC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-5-17-16(11-12-18-6-2)14-7-9-15(10-8-14)19-13(3)4/h7-10,13,16-17H,5-6,11-12H2,1-4H3
InChIKeyIRSDXGIJGLAODQ-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'}

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Related Compounds

N-ethyl-1-(4-propan-2-yloxyphenyl)octan-1-amine
CID 43492130
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105176221
N-ethyl-1-(4-propan-2-yloxyphenyl)but-3-en-1-amine
CID 116660776
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
N-ethyl-3,4,4-trimethyl-1-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 63832362
N-ethyl-3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144630
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine (CID 105144753) is 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine is CCNC(CCOCC)c1ccc(OC(C)C)cc1.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is IRSDXGIJGLAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-17-16(11-12-18-6-2)14-7-9-15(10-8-14)19-13(3)4/h7-10,13,16-17H,5-6,11-12H2,1-4H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine?
3-ethoxy-N-ethyl-1-(4-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-(4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 105144753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).