3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine

C16H27NO2 — CID 62598903

IUPAC3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO2/c1-5-18-9-6-7-17-8-10-19-16-14(3)11-13(2)12-15(16)4/h11-12,17H,5-10H2,1-4H3
InChIKeySPFAUIJARXHIOD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.01
Rot. Bonds9

About 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine

3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine (PubChem CID 62598903) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
PubChem CID62598903
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO2/c1-5-18-9-6-7-17-8-10-19-16-14(3)11-13(2)12-15(16)4/h11-12,17H,5-10H2,1-4H3
InChIKeySPFAUIJARXHIOD-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
CID 62597342
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
N-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 107726662
4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine
CID 62572377
N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 65176339
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
2-[2-(2-bromo-4,6-dimethylphenoxy)ethylamino]ethanol
CID 39292056
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine (CID 62598903) is 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine is CCOCCCNCCOc1c(C)cc(C)cc1C.
What is the InChIKey of 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine?
The InChIKey is SPFAUIJARXHIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-18-9-6-7-17-8-10-19-16-14(3)11-13(2)12-15(16)4/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine?
3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 62598903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).