2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol

C13H20N2O — CID 83956538

IUPAC2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol
SMILESCC1NCCc2cc(CNCCO)ccc21
InChIInChI=1S/C13H20N2O/c1-10-13-3-2-11(9-14-6-7-16)8-12(13)4-5-15-10/h2-3,8,10,14-16H,4-7,9H2,1H3
InChIKeySMSAZQIXPLZGAY-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.98
Rot. Bonds4

About 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol

2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol (PubChem CID 83956538) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol
PubChem CID83956538
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol
SMILESCC1NCCc2cc(CNCCO)ccc21
InChIInChI=1S/C13H20N2O/c1-10-13-3-2-11(9-14-6-7-16)8-12(13)4-5-15-10/h2-3,8,10,14-16H,4-7,9H2,1H3
InChIKeySMSAZQIXPLZGAY-UHFFFAOYSA-N
XLogP0.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.98
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-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol?
The IUPAC name of 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol (CID 83956538) is 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol?
The canonical SMILES for 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol is CC1NCCc2cc(CNCCO)ccc21.
What is the InChIKey of 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol?
The InChIKey is SMSAZQIXPLZGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-13-3-2-11(9-14-6-7-16)8-12(13)4-5-15-10/h2-3,8,10,14-16H,4-7,9H2,1H3.
What are the key properties of 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol?
2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol has a molecular weight of 220.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methylamino]ethanol is sourced from PubChem (CID 83956538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).