3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol

C12H20N2O2 — CID 67610904

IUPAC3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol
SMILESCNCCOc1ccc(O)cc1CN(C)C
InChIInChI=1S/C12H20N2O2/c1-13-6-7-16-12-5-4-11(15)8-10(12)9-14(2)3/h4-5,8,13,15H,6-7,9H2,1-3H3
InChIKeyYISPPKPJAIJOFH-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.05
Rot. Bonds6

About 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol

3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol (PubChem CID 67610904) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol
PubChem CID67610904
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol
SMILESCNCCOc1ccc(O)cc1CN(C)C
InChIInChI=1S/C12H20N2O2/c1-13-6-7-16-12-5-4-11(15)8-10(12)9-14(2)3/h4-5,8,13,15H,6-7,9H2,1-3H3
InChIKeyYISPPKPJAIJOFH-UHFFFAOYSA-N
XLogP1.05
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol?
The IUPAC name of 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol (CID 67610904) is 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol is CNCCOc1ccc(O)cc1CN(C)C.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol?
The InChIKey is YISPPKPJAIJOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-6-7-16-12-5-4-11(15)8-10(12)9-14(2)3/h4-5,8,13,15H,6-7,9H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol?
3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol has a molecular weight of 224.30 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol is sourced from PubChem (CID 67610904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).