3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol

C17H21NO2 — CID 176513569

IUPAC3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol
SMILESCOc1ccc(CN(C)C)c(-c2ccc(C)cc2)c1O
InChIInChI=1S/C17H21NO2/c1-12-5-7-13(8-6-12)16-14(11-18(2)3)9-10-15(20-4)17(16)19/h5-10,19H,11H2,1-4H3
InChIKeyXFLJAQDZHRYVPD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.44
Rot. Bonds4

About 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol

3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol (PubChem CID 176513569) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol
PubChem CID176513569
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol
SMILESCOc1ccc(CN(C)C)c(-c2ccc(C)cc2)c1O
InChIInChI=1S/C17H21NO2/c1-12-5-7-13(8-6-12)16-14(11-18(2)3)9-10-15(20-4)17(16)19/h5-10,19H,11H2,1-4H3
InChIKeyXFLJAQDZHRYVPD-UHFFFAOYSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol?
The IUPAC name of 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol (CID 176513569) is 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol?
The canonical SMILES for 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol is COc1ccc(CN(C)C)c(-c2ccc(C)cc2)c1O.
What is the InChIKey of 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol?
The InChIKey is XFLJAQDZHRYVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-7-13(8-6-12)16-14(11-18(2)3)9-10-15(20-4)17(16)19/h5-10,19H,11H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol?
3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol has a molecular weight of 271.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-6-methoxy-2-(4-methylphenyl)phenol is sourced from PubChem (CID 176513569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).