3-[3-(diethylamino)propylamino]phenol

C13H22N2O — CID 83813650

IUPAC3-[3-(diethylamino)propylamino]phenol
SMILESCCN(CC)CCCNc1cccc(O)c1
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)10-6-9-14-12-7-5-8-13(16)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3
InChIKeyUWSTVJMQJCFHHM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds7

About 3-[3-(diethylamino)propylamino]phenol

3-[3-(diethylamino)propylamino]phenol (PubChem CID 83813650) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[3-(diethylamino)propylamino]phenol.

Molecular Properties

Compound Name3-[3-(diethylamino)propylamino]phenol
PubChem CID83813650
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[3-(diethylamino)propylamino]phenol
SMILESCCN(CC)CCCNc1cccc(O)c1
InChIInChI=1S/C13H22N2O/c1-3-15(4-2)10-6-9-14-12-7-5-8-13(16)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3
InChIKeyUWSTVJMQJCFHHM-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)phenol
CID 578991
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
3-(3-phenylpropylamino)phenol
CID 28722963
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
2-chloro-4-[3-(diethylamino)propylamino]benzoic acid
CID 55151863
4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
CID 81281767
2-chloro-4-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62949281
2-cyano-N-[1-[3-[4-(diethylamino)butylamino]phenyl]propyl]acetamide
CID 153374000
4-[3-(diethylamino)propylamino]-2-fluorobenzonitrile
CID 113295496
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
N-butyl-3-methylaniline;phenol
CID 18006904
2-[3-(diethylamino)propylamino]-1,3-benzothiazol-6-ol;dihydrochloride
CID 14749896

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propylamino]phenol?
The IUPAC name of 3-[3-(diethylamino)propylamino]phenol (CID 83813650) is 3-[3-(diethylamino)propylamino]phenol.
What is the SMILES notation for 3-[3-(diethylamino)propylamino]phenol?
The canonical SMILES for 3-[3-(diethylamino)propylamino]phenol is CCN(CC)CCCNc1cccc(O)c1.
What is the InChIKey of 3-[3-(diethylamino)propylamino]phenol?
The InChIKey is UWSTVJMQJCFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(4-2)10-6-9-14-12-7-5-8-13(16)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)propylamino]phenol?
3-[3-(diethylamino)propylamino]phenol has a molecular weight of 222.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propylamino]phenol is sourced from PubChem (CID 83813650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).