2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol

C15H17NO2 — CID 59917207

IUPAC2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol
SMILESOc1ccccc1CCNCc1ccccc1O
InChIInChI=1S/C15H17NO2/c17-14-7-3-1-5-12(14)9-10-16-11-13-6-2-4-8-15(13)18/h1-8,16-18H,9-11H2
InChIKeyQDLCTSFOERZWSP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds5

About 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol

2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol (PubChem CID 59917207) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol
PubChem CID59917207
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol
SMILESOc1ccccc1CCNCc1ccccc1O
InChIInChI=1S/C15H17NO2/c17-14-7-3-1-5-12(14)9-10-16-11-13-6-2-4-8-15(13)18/h1-8,16-18H,9-11H2
InChIKeyQDLCTSFOERZWSP-UHFFFAOYSA-N
XLogP2.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol?
The IUPAC name of 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol (CID 59917207) is 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol?
The canonical SMILES for 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol is Oc1ccccc1CCNCc1ccccc1O.
What is the InChIKey of 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol?
The InChIKey is QDLCTSFOERZWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-14-7-3-1-5-12(14)9-10-16-11-13-6-2-4-8-15(13)18/h1-8,16-18H,9-11H2.
What are the key properties of 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol?
2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyphenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 59917207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).