4-amino-3-[2-(dimethylamino)ethylamino]phenol

C10H17N3O — CID 118147492

IUPAC4-amino-3-[2-(dimethylamino)ethylamino]phenol
SMILESCN(C)CCNc1cc(O)ccc1N
InChIInChI=1S/C10H17N3O/c1-13(2)6-5-12-10-7-8(14)3-4-9(10)11/h3-4,7,12,14H,5-6,11H2,1-2H3
InChIKeyCOXJIWQTXBCZAZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.95
Rot. Bonds4

About 4-amino-3-[2-(dimethylamino)ethylamino]phenol

4-amino-3-[2-(dimethylamino)ethylamino]phenol (PubChem CID 118147492) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-3-[2-(dimethylamino)ethylamino]phenol.

Molecular Properties

Compound Name4-amino-3-[2-(dimethylamino)ethylamino]phenol
PubChem CID118147492
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-3-[2-(dimethylamino)ethylamino]phenol
SMILESCN(C)CCNc1cc(O)ccc1N
InChIInChI=1S/C10H17N3O/c1-13(2)6-5-12-10-7-8(14)3-4-9(10)11/h3-4,7,12,14H,5-6,11H2,1-2H3
InChIKeyCOXJIWQTXBCZAZ-UHFFFAOYSA-N
XLogP0.95
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-3-[2-(dimethylamino)ethylamino]phenol?
The IUPAC name of 4-amino-3-[2-(dimethylamino)ethylamino]phenol (CID 118147492) is 4-amino-3-[2-(dimethylamino)ethylamino]phenol.
What is the SMILES notation for 4-amino-3-[2-(dimethylamino)ethylamino]phenol?
The canonical SMILES for 4-amino-3-[2-(dimethylamino)ethylamino]phenol is CN(C)CCNc1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-[2-(dimethylamino)ethylamino]phenol?
The InChIKey is COXJIWQTXBCZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13(2)6-5-12-10-7-8(14)3-4-9(10)11/h3-4,7,12,14H,5-6,11H2,1-2H3.
What are the key properties of 4-amino-3-[2-(dimethylamino)ethylamino]phenol?
4-amino-3-[2-(dimethylamino)ethylamino]phenol has a molecular weight of 195.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(dimethylamino)ethylamino]phenol is sourced from PubChem (CID 118147492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).