4-amino-2-(diethylaminomethyl)phenol;dihydrochloride

C11H20Cl2N2O — CID 2723878

IUPAC4-amino-2-(diethylaminomethyl)phenol;dihydrochloride
SMILESCCN(CC)Cc1cc(N)ccc1O.Cl.Cl
InChIInChI=1S/C11H18N2O.2ClH/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14;;/h5-7,14H,3-4,8,12H2,1-2H3;2*1H
InChIKeyPLISWDVQSUTGTR-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.66
Rot. Bonds4

About 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride

4-amino-2-(diethylaminomethyl)phenol;dihydrochloride (PubChem CID 2723878) has the molecular formula C11H20Cl2N2O and a molecular weight of 267.20 g/mol. Its IUPAC name is 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-(diethylaminomethyl)phenol;dihydrochloride
PubChem CID2723878
Molecular FormulaC11H20Cl2N2O
Molecular Weight267.20 g/mol
Exact Mass266.10
IUPAC Name4-amino-2-(diethylaminomethyl)phenol;dihydrochloride
SMILESCCN(CC)Cc1cc(N)ccc1O.Cl.Cl
InChIInChI=1S/C11H18N2O.2ClH/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14;;/h5-7,14H,3-4,8,12H2,1-2H3;2*1H
InChIKeyPLISWDVQSUTGTR-UHFFFAOYSA-N
XLogP2.66
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.66
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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride?
The IUPAC name of 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride (CID 2723878) is 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride.
What is the SMILES notation for 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride?
The canonical SMILES for 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride is CCN(CC)Cc1cc(N)ccc1O.Cl.Cl.
What is the InChIKey of 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride?
The InChIKey is PLISWDVQSUTGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.2ClH/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14;;/h5-7,14H,3-4,8,12H2,1-2H3;2*1H.
What are the key properties of 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride?
4-amino-2-(diethylaminomethyl)phenol;dihydrochloride has a molecular weight of 267.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylaminomethyl)phenol;dihydrochloride is sourced from PubChem (CID 2723878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).