2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol

C12H20N2O — CID 60980897

IUPAC2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cccc(N)c1C
InChIInChI=1S/C12H20N2O/c1-3-14(7-8-15)9-11-5-4-6-12(13)10(11)2/h4-6,15H,3,7-9,13H2,1-2H3
InChIKeyAWRALTYQBJBJGN-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.39
Rot. Bonds5

About 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol

2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol (PubChem CID 60980897) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
PubChem CID60980897
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1cccc(N)c1C
InChIInChI=1S/C12H20N2O/c1-3-14(7-8-15)9-11-5-4-6-12(13)10(11)2/h4-6,15H,3,7-9,13H2,1-2H3
InChIKeyAWRALTYQBJBJGN-UHFFFAOYSA-N
XLogP1.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol (CID 60980897) is 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol is CCN(CCO)Cc1cccc(N)c1C.
What is the InChIKey of 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol?
The InChIKey is AWRALTYQBJBJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(7-8-15)9-11-5-4-6-12(13)10(11)2/h4-6,15H,3,7-9,13H2,1-2H3.
What are the key properties of 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol?
2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol has a molecular weight of 208.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol is sourced from PubChem (CID 60980897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).