3-(2-phenylethenoxy)prop-1-en-1-amine

C11H13NO — CID 69091167

IUPAC3-(2-phenylethenoxy)prop-1-en-1-amine
SMILESNC=CCOC=Cc1ccccc1
InChIInChI=1S/C11H13NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-8,10H,9,12H2
InChIKeyRZUAUOKAQIGGII-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.15
Rot. Bonds4

About 3-(2-phenylethenoxy)prop-1-en-1-amine

3-(2-phenylethenoxy)prop-1-en-1-amine (PubChem CID 69091167) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-(2-phenylethenoxy)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(2-phenylethenoxy)prop-1-en-1-amine
PubChem CID69091167
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-(2-phenylethenoxy)prop-1-en-1-amine
SMILESNC=CCOC=Cc1ccccc1
InChIInChI=1S/C11H13NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-8,10H,9,12H2
InChIKeyRZUAUOKAQIGGII-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethenoxy)prop-1-en-1-amine?
The IUPAC name of 3-(2-phenylethenoxy)prop-1-en-1-amine (CID 69091167) is 3-(2-phenylethenoxy)prop-1-en-1-amine.
What is the SMILES notation for 3-(2-phenylethenoxy)prop-1-en-1-amine?
The canonical SMILES for 3-(2-phenylethenoxy)prop-1-en-1-amine is NC=CCOC=Cc1ccccc1.
What is the InChIKey of 3-(2-phenylethenoxy)prop-1-en-1-amine?
The InChIKey is RZUAUOKAQIGGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-8,10H,9,12H2.
What are the key properties of 3-(2-phenylethenoxy)prop-1-en-1-amine?
3-(2-phenylethenoxy)prop-1-en-1-amine has a molecular weight of 175.23 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethenoxy)prop-1-en-1-amine is sourced from PubChem (CID 69091167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).