1-(4-amino-N,3-diethylanilino)ethanol

C12H20N2O — CID 70408787

IUPAC1-(4-amino-N,3-diethylanilino)ethanol
SMILESCCc1cc(N(CC)C(C)O)ccc1N
InChIInChI=1S/C12H20N2O/c1-4-10-8-11(6-7-12(10)13)14(5-2)9(3)15/h6-9,15H,4-5,13H2,1-3H3
InChIKeyKUNGSOFNGRQZFV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.00
Rot. Bonds4

About 1-(4-amino-N,3-diethylanilino)ethanol

1-(4-amino-N,3-diethylanilino)ethanol (PubChem CID 70408787) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(4-amino-N,3-diethylanilino)ethanol.

Molecular Properties

Compound Name1-(4-amino-N,3-diethylanilino)ethanol
PubChem CID70408787
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(4-amino-N,3-diethylanilino)ethanol
SMILESCCc1cc(N(CC)C(C)O)ccc1N
InChIInChI=1S/C12H20N2O/c1-4-10-8-11(6-7-12(10)13)14(5-2)9(3)15/h6-9,15H,4-5,13H2,1-3H3
InChIKeyKUNGSOFNGRQZFV-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-N,3-diethylanilino)ethanol?
The IUPAC name of 1-(4-amino-N,3-diethylanilino)ethanol (CID 70408787) is 1-(4-amino-N,3-diethylanilino)ethanol.
What is the SMILES notation for 1-(4-amino-N,3-diethylanilino)ethanol?
The canonical SMILES for 1-(4-amino-N,3-diethylanilino)ethanol is CCc1cc(N(CC)C(C)O)ccc1N.
What is the InChIKey of 1-(4-amino-N,3-diethylanilino)ethanol?
The InChIKey is KUNGSOFNGRQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-10-8-11(6-7-12(10)13)14(5-2)9(3)15/h6-9,15H,4-5,13H2,1-3H3.
What are the key properties of 1-(4-amino-N,3-diethylanilino)ethanol?
1-(4-amino-N,3-diethylanilino)ethanol has a molecular weight of 208.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-N,3-diethylanilino)ethanol is sourced from PubChem (CID 70408787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).