2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol

C15H23NO — CID 89205786

IUPAC2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol
SMILESC=C(c1cccc(C(C)CCC)c1O)N(C)C
InChIInChI=1S/C15H23NO/c1-6-8-11(2)13-9-7-10-14(15(13)17)12(3)16(4)5/h7,9-11,17H,3,6,8H2,1-2,4-5H3
InChIKeyRSANQSDNZKESKG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.83
Rot. Bonds5

About 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol

2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol (PubChem CID 89205786) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol
PubChem CID89205786
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol
SMILESC=C(c1cccc(C(C)CCC)c1O)N(C)C
InChIInChI=1S/C15H23NO/c1-6-8-11(2)13-9-7-10-14(15(13)17)12(3)16(4)5/h7,9-11,17H,3,6,8H2,1-2,4-5H3
InChIKeyRSANQSDNZKESKG-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol?
The IUPAC name of 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol (CID 89205786) is 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol.
What is the SMILES notation for 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol?
The canonical SMILES for 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol is C=C(c1cccc(C(C)CCC)c1O)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol?
The InChIKey is RSANQSDNZKESKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-6-8-11(2)13-9-7-10-14(15(13)17)12(3)16(4)5/h7,9-11,17H,3,6,8H2,1-2,4-5H3.
What are the key properties of 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol?
2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol has a molecular weight of 233.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethenyl]-6-pentan-2-ylphenol is sourced from PubChem (CID 89205786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).