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

C12H22Cl2N2O2 — CID 67610903

IUPAC3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride
SMILESCNCCOc1ccc(O)cc1CN(C)C.Cl.Cl
InChIInChI=1S/C12H20N2O2.2ClH/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;2*1H
InChIKeyARVGXWJWMHXZFU-UHFFFAOYSA-N
MW297.23 g/mol
LogP1.90
Rot. Bonds6

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

3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride (PubChem CID 67610903) has the molecular formula C12H22Cl2N2O2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride
PubChem CID67610903
Molecular FormulaC12H22Cl2N2O2
Molecular Weight297.23 g/mol
Exact Mass296.11
IUPAC Name3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride
SMILESCNCCOc1ccc(O)cc1CN(C)C.Cl.Cl
InChIInChI=1S/C12H20N2O2.2ClH/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;2*1H
InChIKeyARVGXWJWMHXZFU-UHFFFAOYSA-N
XLogP1.90
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 51.90
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride (CID 67610903) is 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride is CNCCOc1ccc(O)cc1CN(C)C.Cl.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride?
The InChIKey is ARVGXWJWMHXZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.2ClH/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;2*1H.
What are the key properties of 3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride?
3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride has a molecular weight of 297.23 g/mol, XLogP of 1.90, 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;dihydrochloride is sourced from PubChem (CID 67610903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).