3-amino-2-[(dimethylamino)methyl]phenol

C9H14N2O — CID 771531

IUPAC3-amino-2-[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1c(N)cccc1O
InChIInChI=1S/C9H14N2O/c1-11(2)6-7-8(10)4-3-5-9(7)12/h3-5,12H,6,10H2,1-2H3
InChIKeyNRAASMVLNXWEEF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.04
Rot. Bonds2

About 3-amino-2-[(dimethylamino)methyl]phenol

3-amino-2-[(dimethylamino)methyl]phenol (PubChem CID 771531) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-2-[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name3-amino-2-[(dimethylamino)methyl]phenol
PubChem CID771531
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-2-[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1c(N)cccc1O
InChIInChI=1S/C9H14N2O/c1-11(2)6-7-8(10)4-3-5-9(7)12/h3-5,12H,6,10H2,1-2H3
InChIKeyNRAASMVLNXWEEF-UHFFFAOYSA-N
XLogP1.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(dimethylamino)methyl]phenol?
The IUPAC name of 3-amino-2-[(dimethylamino)methyl]phenol (CID 771531) is 3-amino-2-[(dimethylamino)methyl]phenol.
What is the SMILES notation for 3-amino-2-[(dimethylamino)methyl]phenol?
The canonical SMILES for 3-amino-2-[(dimethylamino)methyl]phenol is CN(C)Cc1c(N)cccc1O.
What is the InChIKey of 3-amino-2-[(dimethylamino)methyl]phenol?
The InChIKey is NRAASMVLNXWEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11(2)6-7-8(10)4-3-5-9(7)12/h3-5,12H,6,10H2,1-2H3.
What are the key properties of 3-amino-2-[(dimethylamino)methyl]phenol?
3-amino-2-[(dimethylamino)methyl]phenol has a molecular weight of 166.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(dimethylamino)methyl]phenol is sourced from PubChem (CID 771531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).