N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine

C14H19NO — CID 2297944

IUPACN-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOc1ccccc1CC=C
InChIInChI=1S/C14H19NO/c1-3-7-13-8-5-6-9-14(13)16-12-11-15-10-4-2/h3-6,8-9,15H,1-2,7,10-12H2
InChIKeyOSPRYOVNLIFPTL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds8

About N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine

N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine (PubChem CID 2297944) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine
PubChem CID2297944
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOc1ccccc1CC=C
InChIInChI=1S/C14H19NO/c1-3-7-13-8-5-6-9-14(13)16-12-11-15-10-4-2/h3-6,8-9,15H,1-2,7,10-12H2
InChIKeyOSPRYOVNLIFPTL-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine (CID 2297944) is N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine is C=CCNCCOc1ccccc1CC=C.
What is the InChIKey of N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine?
The InChIKey is OSPRYOVNLIFPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-7-13-8-5-6-9-14(13)16-12-11-15-10-4-2/h3-6,8-9,15H,1-2,7,10-12H2.
What are the key properties of N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine?
N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-prop-2-enylphenoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 2297944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).