3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine

C14H21NO — CID 6198631

IUPAC3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
SMILESCCOCCCNC/C=C/c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-16-13-7-12-15-11-6-10-14-8-4-3-5-9-14/h3-6,8-10,15H,2,7,11-13H2,1H3/b10-6+
InChIKeyAVQKOMUXDDQBMP-UXBLZVDNSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds8

About 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine

3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine (PubChem CID 6198631) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
PubChem CID6198631
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine
SMILESCCOCCCNC/C=C/c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-16-13-7-12-15-11-6-10-14-8-4-3-5-9-14/h3-6,8-10,15H,2,7,11-13H2,1H3/b10-6+
InChIKeyAVQKOMUXDDQBMP-UXBLZVDNSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine (CID 6198631) is 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine is CCOCCCNC/C=C/c1ccccc1.
What is the InChIKey of 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine?
The InChIKey is AVQKOMUXDDQBMP-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-16-13-7-12-15-11-6-10-14-8-4-3-5-9-14/h3-6,8-10,15H,2,7,11-13H2,1H3/b10-6+.
What are the key properties of 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine?
3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(E)-3-phenylprop-2-enyl]propan-1-amine is sourced from PubChem (CID 6198631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).