2-[[3-(methylamino)phenyl]methylamino]ethanol

C10H16N2O — CID 166722788

IUPAC2-[[3-(methylamino)phenyl]methylamino]ethanol
SMILESCNc1cccc(CNCCO)c1
InChIInChI=1S/C10H16N2O/c1-11-10-4-2-3-9(7-10)8-12-5-6-13/h2-4,7,11-13H,5-6,8H2,1H3
InChIKeyMTOHZYTVDGRJSS-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.81
Rot. Bonds5

About 2-[[3-(methylamino)phenyl]methylamino]ethanol

2-[[3-(methylamino)phenyl]methylamino]ethanol (PubChem CID 166722788) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[[3-(methylamino)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(methylamino)phenyl]methylamino]ethanol
PubChem CID166722788
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[[3-(methylamino)phenyl]methylamino]ethanol
SMILESCNc1cccc(CNCCO)c1
InChIInChI=1S/C10H16N2O/c1-11-10-4-2-3-9(7-10)8-12-5-6-13/h2-4,7,11-13H,5-6,8H2,1H3
InChIKeyMTOHZYTVDGRJSS-UHFFFAOYSA-N
XLogP0.81
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methylamino)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-(methylamino)phenyl]methylamino]ethanol (CID 166722788) is 2-[[3-(methylamino)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-(methylamino)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-(methylamino)phenyl]methylamino]ethanol is CNc1cccc(CNCCO)c1.
What is the InChIKey of 2-[[3-(methylamino)phenyl]methylamino]ethanol?
The InChIKey is MTOHZYTVDGRJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-11-10-4-2-3-9(7-10)8-12-5-6-13/h2-4,7,11-13H,5-6,8H2,1H3.
What are the key properties of 2-[[3-(methylamino)phenyl]methylamino]ethanol?
2-[[3-(methylamino)phenyl]methylamino]ethanol has a molecular weight of 180.25 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methylamino)phenyl]methylamino]ethanol is sourced from PubChem (CID 166722788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).