2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol

C19H23NO — CID 753623

IUPAC2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol
SMILESC=CCc1cccc(CNc2c(C)cc(C)cc2C)c1O
InChIInChI=1S/C19H23NO/c1-5-7-16-8-6-9-17(19(16)21)12-20-18-14(3)10-13(2)11-15(18)4/h5-6,8-11,20-21H,1,7,12H2,2-4H3
InChIKeyDONFPCXZFFVJFF-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.66
Rot. Bonds5

About 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol

2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol (PubChem CID 753623) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol
PubChem CID753623
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol
SMILESC=CCc1cccc(CNc2c(C)cc(C)cc2C)c1O
InChIInChI=1S/C19H23NO/c1-5-7-16-8-6-9-17(19(16)21)12-20-18-14(3)10-13(2)11-15(18)4/h5-6,8-11,20-21H,1,7,12H2,2-4H3
InChIKeyDONFPCXZFFVJFF-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol?
The IUPAC name of 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol (CID 753623) is 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol.
What is the SMILES notation for 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol?
The canonical SMILES for 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol is C=CCc1cccc(CNc2c(C)cc(C)cc2C)c1O.
What is the InChIKey of 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol?
The InChIKey is DONFPCXZFFVJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-5-7-16-8-6-9-17(19(16)21)12-20-18-14(3)10-13(2)11-15(18)4/h5-6,8-11,20-21H,1,7,12H2,2-4H3.
What are the key properties of 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol?
2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-6-[(2,4,6-trimethylanilino)methyl]phenol is sourced from PubChem (CID 753623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).