2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol

C17H22N2O2 — CID 2283723

IUPAC2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol
SMILESOc1ccccc1CNCCCNCc1ccccc1O
InChIInChI=1S/C17H22N2O2/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21/h1-4,6-9,18-21H,5,10-13H2
InChIKeyKTWSKIQUAVAPQO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.37
Rot. Bonds8

About 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol

2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol (PubChem CID 2283723) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol
PubChem CID2283723
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol
SMILESOc1ccccc1CNCCCNCc1ccccc1O
InChIInChI=1S/C17H22N2O2/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21/h1-4,6-9,18-21H,5,10-13H2
InChIKeyKTWSKIQUAVAPQO-UHFFFAOYSA-N
XLogP2.37
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol?
The IUPAC name of 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol (CID 2283723) is 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol.
What is the SMILES notation for 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol?
The canonical SMILES for 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol is Oc1ccccc1CNCCCNCc1ccccc1O.
What is the InChIKey of 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol?
The InChIKey is KTWSKIQUAVAPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21/h1-4,6-9,18-21H,5,10-13H2.
What are the key properties of 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol?
2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol has a molecular weight of 286.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxyphenyl)methylamino]propylamino]methyl]phenol is sourced from PubChem (CID 2283723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).