2,3-bis[(dimethylamino)methyl]phenol

C12H20N2O — CID 3018067

IUPAC2,3-bis[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1cccc(O)c1CN(C)C
InChIInChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-12(15)11(10)9-14(3)4/h5-7,15H,8-9H2,1-4H3
InChIKeyHCKPQGBXPQNMKU-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.52
Rot. Bonds4

About 2,3-bis[(dimethylamino)methyl]phenol

2,3-bis[(dimethylamino)methyl]phenol (PubChem CID 3018067) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3-bis[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name2,3-bis[(dimethylamino)methyl]phenol
PubChem CID3018067
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,3-bis[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1cccc(O)c1CN(C)C
InChIInChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-12(15)11(10)9-14(3)4/h5-7,15H,8-9H2,1-4H3
InChIKeyHCKPQGBXPQNMKU-UHFFFAOYSA-N
XLogP1.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(dimethylamino)methyl]phenol?
The IUPAC name of 2,3-bis[(dimethylamino)methyl]phenol (CID 3018067) is 2,3-bis[(dimethylamino)methyl]phenol.
What is the SMILES notation for 2,3-bis[(dimethylamino)methyl]phenol?
The canonical SMILES for 2,3-bis[(dimethylamino)methyl]phenol is CN(C)Cc1cccc(O)c1CN(C)C.
What is the InChIKey of 2,3-bis[(dimethylamino)methyl]phenol?
The InChIKey is HCKPQGBXPQNMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13(2)8-10-6-5-7-12(15)11(10)9-14(3)4/h5-7,15H,8-9H2,1-4H3.
What are the key properties of 2,3-bis[(dimethylamino)methyl]phenol?
2,3-bis[(dimethylamino)methyl]phenol has a molecular weight of 208.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(dimethylamino)methyl]phenol is sourced from PubChem (CID 3018067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).