3-(4-phenoxyphenyl)but-2-en-1-amine

C16H17NO — CID 54192751

IUPAC3-(4-phenoxyphenyl)but-2-en-1-amine
SMILESCC(=CCN)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-13(11-12-17)14-7-9-16(10-8-14)18-15-5-3-2-4-6-15/h2-11H,12,17H2,1H3
InChIKeyPJQRAVADFAOYBQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.84
Rot. Bonds4

About 3-(4-phenoxyphenyl)but-2-en-1-amine

3-(4-phenoxyphenyl)but-2-en-1-amine (PubChem CID 54192751) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(4-phenoxyphenyl)but-2-en-1-amine.

Molecular Properties

Compound Name3-(4-phenoxyphenyl)but-2-en-1-amine
PubChem CID54192751
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(4-phenoxyphenyl)but-2-en-1-amine
SMILESCC(=CCN)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-13(11-12-17)14-7-9-16(10-8-14)18-15-5-3-2-4-6-15/h2-11H,12,17H2,1H3
InChIKeyPJQRAVADFAOYBQ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenoxyphenyl)but-2-en-1-amine?
The IUPAC name of 3-(4-phenoxyphenyl)but-2-en-1-amine (CID 54192751) is 3-(4-phenoxyphenyl)but-2-en-1-amine.
What is the SMILES notation for 3-(4-phenoxyphenyl)but-2-en-1-amine?
The canonical SMILES for 3-(4-phenoxyphenyl)but-2-en-1-amine is CC(=CCN)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenoxyphenyl)but-2-en-1-amine?
The InChIKey is PJQRAVADFAOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13(11-12-17)14-7-9-16(10-8-14)18-15-5-3-2-4-6-15/h2-11H,12,17H2,1H3.
What are the key properties of 3-(4-phenoxyphenyl)but-2-en-1-amine?
3-(4-phenoxyphenyl)but-2-en-1-amine has a molecular weight of 239.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenoxyphenyl)but-2-en-1-amine is sourced from PubChem (CID 54192751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).