2-[3-(dimethylamino)propoxyamino]phenol

C11H18N2O2 — CID 141038752

IUPAC2-[3-(dimethylamino)propoxyamino]phenol
SMILESCN(C)CCCONc1ccccc1O
InChIInChI=1S/C11H18N2O2/c1-13(2)8-5-9-15-12-10-6-3-4-7-11(10)14/h3-4,6-7,12,14H,5,8-9H2,1-2H3
InChIKeyVKVRSZJOJKHQAQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.69
Rot. Bonds6

About 2-[3-(dimethylamino)propoxyamino]phenol

2-[3-(dimethylamino)propoxyamino]phenol (PubChem CID 141038752) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxyamino]phenol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxyamino]phenol
PubChem CID141038752
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[3-(dimethylamino)propoxyamino]phenol
SMILESCN(C)CCCONc1ccccc1O
InChIInChI=1S/C11H18N2O2/c1-13(2)8-5-9-15-12-10-6-3-4-7-11(10)14/h3-4,6-7,12,14H,5,8-9H2,1-2H3
InChIKeyVKVRSZJOJKHQAQ-UHFFFAOYSA-N
XLogP1.69
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxyamino]phenol?
The IUPAC name of 2-[3-(dimethylamino)propoxyamino]phenol (CID 141038752) is 2-[3-(dimethylamino)propoxyamino]phenol.
What is the SMILES notation for 2-[3-(dimethylamino)propoxyamino]phenol?
The canonical SMILES for 2-[3-(dimethylamino)propoxyamino]phenol is CN(C)CCCONc1ccccc1O.
What is the InChIKey of 2-[3-(dimethylamino)propoxyamino]phenol?
The InChIKey is VKVRSZJOJKHQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(2)8-5-9-15-12-10-6-3-4-7-11(10)14/h3-4,6-7,12,14H,5,8-9H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propoxyamino]phenol?
2-[3-(dimethylamino)propoxyamino]phenol has a molecular weight of 210.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxyamino]phenol is sourced from PubChem (CID 141038752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).