3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol

C12H17NO — CID 12927727

IUPAC3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol
SMILESC=C(C)Cc1c(O)cccc1N(C)C
InChIInChI=1S/C12H17NO/c1-9(2)8-10-11(13(3)4)6-5-7-12(10)14/h5-7,14H,1,8H2,2-4H3
InChIKeyOMYKBZKLWDWODQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.58
Rot. Bonds3

About 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol

3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol (PubChem CID 12927727) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol.

Molecular Properties

Compound Name3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol
PubChem CID12927727
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol
SMILESC=C(C)Cc1c(O)cccc1N(C)C
InChIInChI=1S/C12H17NO/c1-9(2)8-10-11(13(3)4)6-5-7-12(10)14/h5-7,14H,1,8H2,2-4H3
InChIKeyOMYKBZKLWDWODQ-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol?
The IUPAC name of 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol (CID 12927727) is 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol.
What is the SMILES notation for 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol?
The canonical SMILES for 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol is C=C(C)Cc1c(O)cccc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol?
The InChIKey is OMYKBZKLWDWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)8-10-11(13(3)4)6-5-7-12(10)14/h5-7,14H,1,8H2,2-4H3.
What are the key properties of 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol?
3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol is sourced from PubChem (CID 12927727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).