2-(3,4-dihydroisoquinolin-1-yl)ethanamine

C11H14N2 — CID 10966825

IUPAC2-(3,4-dihydroisoquinolin-1-yl)ethanamine
SMILESNCCC1=NCCc2ccccc21
InChIInChI=1S/C11H14N2/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4H,5-8,12H2
InChIKeyODHWXHIIEOSLFG-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.38
Rot. Bonds2

About 2-(3,4-dihydroisoquinolin-1-yl)ethanamine

2-(3,4-dihydroisoquinolin-1-yl)ethanamine (PubChem CID 10966825) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-(3,4-dihydroisoquinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydroisoquinolin-1-yl)ethanamine
PubChem CID10966825
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-(3,4-dihydroisoquinolin-1-yl)ethanamine
SMILESNCCC1=NCCc2ccccc21
InChIInChI=1S/C11H14N2/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4H,5-8,12H2
InChIKeyODHWXHIIEOSLFG-UHFFFAOYSA-N
XLogP1.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
3,4-Dihydroisoquinoline
CID 76705
3,4-Dihydro-isoquinolin-1-ylamine
CID 9793824
1-Phenyl-3,4-dihydroisoquinoline
CID 609926
1-Methyl-3,4-dihydroisoquinoline
CID 231502
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile
CID 2842456
1-Phenyl-3,4-dihydroisoquinoline hydrochloride
CID 12220823
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
3-Methyl-3,4-dihydro-isoquinolin-1-ylamine
CID 11744927
1,3,3-Trimethyl-3,4-dihydroisoquinoline
CID 594161

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroisoquinolin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydroisoquinolin-1-yl)ethanamine (CID 10966825) is 2-(3,4-dihydroisoquinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydroisoquinolin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydroisoquinolin-1-yl)ethanamine is NCCC1=NCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydroisoquinolin-1-yl)ethanamine?
The InChIKey is ODHWXHIIEOSLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4H,5-8,12H2.
What are the key properties of 2-(3,4-dihydroisoquinolin-1-yl)ethanamine?
2-(3,4-dihydroisoquinolin-1-yl)ethanamine has a molecular weight of 174.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroisoquinolin-1-yl)ethanamine is sourced from PubChem (CID 10966825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).