4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine

C15H23NO2 — CID 2298129

IUPAC4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine
SMILESC=CCNCCCCOc1cccc(OCC)c1
InChIInChI=1S/C15H23NO2/c1-3-10-16-11-5-6-12-18-15-9-7-8-14(13-15)17-4-2/h3,7-9,13,16H,1,4-6,10-12H2,2H3
InChIKeyRESGZMLGQISMDN-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.02
Rot. Bonds10

About 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine

4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine (PubChem CID 2298129) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine
PubChem CID2298129
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine
SMILESC=CCNCCCCOc1cccc(OCC)c1
InChIInChI=1S/C15H23NO2/c1-3-10-16-11-5-6-12-18-15-9-7-8-14(13-15)17-4-2/h3,7-9,13,16H,1,4-6,10-12H2,2H3
InChIKeyRESGZMLGQISMDN-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxyphenoxy)-N-ethylpropan-1-amine
CID 62337478
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-(4-bromobutoxy)-3-ethoxybenzene
CID 62338454
1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
CID 2299444
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
N-butyl-5-(3-methoxyphenoxy)pentan-1-amine
CID 2247389
3-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 2296967
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine?
The IUPAC name of 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine (CID 2298129) is 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine?
The canonical SMILES for 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine is C=CCNCCCCOc1cccc(OCC)c1.
What is the InChIKey of 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine?
The InChIKey is RESGZMLGQISMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-10-16-11-5-6-12-18-15-9-7-8-14(13-15)17-4-2/h3,7-9,13,16H,1,4-6,10-12H2,2H3.
What are the key properties of 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine?
4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 2298129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).