2-[(benzylamino)methylamino]ethanol

C10H16N2O — CID 57472463

IUPAC2-[(benzylamino)methylamino]ethanol
SMILESOCCNCNCc1ccccc1
InChIInChI=1S/C10H16N2O/c13-7-6-11-9-12-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyAUFQLCVZUHXLMF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.32
Rot. Bonds6

About 2-[(benzylamino)methylamino]ethanol

2-[(benzylamino)methylamino]ethanol (PubChem CID 57472463) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(benzylamino)methylamino]ethanol.

Molecular Properties

Compound Name2-[(benzylamino)methylamino]ethanol
PubChem CID57472463
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(benzylamino)methylamino]ethanol
SMILESOCCNCNCc1ccccc1
InChIInChI=1S/C10H16N2O/c13-7-6-11-9-12-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKeyAUFQLCVZUHXLMF-UHFFFAOYSA-N
XLogP0.32
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-[(benzylamino)methylamino]ethanol?
The IUPAC name of 2-[(benzylamino)methylamino]ethanol (CID 57472463) is 2-[(benzylamino)methylamino]ethanol.
What is the SMILES notation for 2-[(benzylamino)methylamino]ethanol?
The canonical SMILES for 2-[(benzylamino)methylamino]ethanol is OCCNCNCc1ccccc1.
What is the InChIKey of 2-[(benzylamino)methylamino]ethanol?
The InChIKey is AUFQLCVZUHXLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-7-6-11-9-12-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2.
What are the key properties of 2-[(benzylamino)methylamino]ethanol?
2-[(benzylamino)methylamino]ethanol has a molecular weight of 180.25 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methylamino]ethanol is sourced from PubChem (CID 57472463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).