2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine

C16H18ClNO2 — CID 2993796

IUPAC2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine
SMILESC=CCc1cccc(Cl)c1OCCNCc1ccco1
InChIInChI=1S/C16H18ClNO2/c1-2-5-13-6-3-8-15(17)16(13)20-11-9-18-12-14-7-4-10-19-14/h2-4,6-8,10,18H,1,5,9,11-12H2
InChIKeyFTZFBTYXMMBILO-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.83
Rot. Bonds8

About 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine

2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 2993796) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine
PubChem CID2993796
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine
SMILESC=CCc1cccc(Cl)c1OCCNCc1ccco1
InChIInChI=1S/C16H18ClNO2/c1-2-5-13-6-3-8-15(17)16(13)20-11-9-18-12-14-7-4-10-19-14/h2-4,6-8,10,18H,1,5,9,11-12H2
InChIKeyFTZFBTYXMMBILO-UHFFFAOYSA-N
XLogP3.83
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine (CID 2993796) is 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine is C=CCc1cccc(Cl)c1OCCNCc1ccco1.
What is the InChIKey of 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is FTZFBTYXMMBILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-2-5-13-6-3-8-15(17)16(13)20-11-9-18-12-14-7-4-10-19-14/h2-4,6-8,10,18H,1,5,9,11-12H2.
What are the key properties of 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine?
2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-prop-2-enylphenoxy)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 2993796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).