2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol

C15H23NO — CID 113288152

IUPAC2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol
SMILESC=C(CNC(CC)(CC)CO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-15(5-2,12-17)16-11-13(3)14-9-7-6-8-10-14/h6-10,16-17H,3-5,11-12H2,1-2H3
InChIKeyYISJCIUXLBMBRH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.84
Rot. Bonds7

About 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol

2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol (PubChem CID 113288152) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol
PubChem CID113288152
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol
SMILESC=C(CNC(CC)(CC)CO)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-15(5-2,12-17)16-11-13(3)14-9-7-6-8-10-14/h6-10,16-17H,3-5,11-12H2,1-2H3
InChIKeyYISJCIUXLBMBRH-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol (CID 113288152) is 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol is C=C(CNC(CC)(CC)CO)c1ccccc1.
What is the InChIKey of 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol?
The InChIKey is YISJCIUXLBMBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-15(5-2,12-17)16-11-13(3)14-9-7-6-8-10-14/h6-10,16-17H,3-5,11-12H2,1-2H3.
What are the key properties of 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol?
2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol is sourced from PubChem (CID 113288152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).