5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine

C15H25NO2 — CID 62337461

IUPAC5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCOc1cccc(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-16-13(3)8-7-11-18-15-10-6-9-14(12-15)17-5-2/h6,9-10,12-13,16H,4-5,7-8,11H2,1-3H3
InChIKeyILFSZFABKREHOO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.24
Rot. Bonds9

About 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine

5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine (PubChem CID 62337461) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine
PubChem CID62337461
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCOc1cccc(OCC)c1
InChIInChI=1S/C15H25NO2/c1-4-16-13(3)8-7-11-18-15-10-6-9-14(12-15)17-5-2/h6,9-10,12-13,16H,4-5,7-8,11H2,1-3H3
InChIKeyILFSZFABKREHOO-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.24
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

4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
CID 55135933
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
1-(4-bromobutoxy)-3-ethoxybenzene
CID 62338454
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine?
The IUPAC name of 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine (CID 62337461) is 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine?
The canonical SMILES for 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine is CCNC(C)CCCOc1cccc(OCC)c1.
What is the InChIKey of 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine?
The InChIKey is ILFSZFABKREHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-16-13(3)8-7-11-18-15-10-6-9-14(12-15)17-5-2/h6,9-10,12-13,16H,4-5,7-8,11H2,1-3H3.
What are the key properties of 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine?
5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenoxy)-N-ethylpentan-2-amine is sourced from PubChem (CID 62337461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).