ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine

C12H20N2 — CID 171627514

IUPACethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine
SMILESCC.CNN1CCc2ccccc2C1
InChIInChI=1S/C10H14N2.C2H6/c1-11-12-7-6-9-4-2-3-5-10(9)8-12;1-2/h2-5,11H,6-8H2,1H3;1-2H3
InChIKeyUFKOGRAQLHXREB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.21
Rot. Bonds1

About ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine

ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine (PubChem CID 171627514) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine
PubChem CID171627514
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Nameethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine
SMILESCC.CNN1CCc2ccccc2C1
InChIInChI=1S/C10H14N2.C2H6/c1-11-12-7-6-9-4-2-3-5-10(9)8-12;1-2/h2-5,11H,6-8H2,1H3;1-2H3
InChIKeyUFKOGRAQLHXREB-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine?
The IUPAC name of ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine (CID 171627514) is ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine.
What is the SMILES notation for ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine?
The canonical SMILES for ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine is CC.CNN1CCc2ccccc2C1.
What is the InChIKey of ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine?
The InChIKey is UFKOGRAQLHXREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-11-12-7-6-9-4-2-3-5-10(9)8-12;1-2/h2-5,11H,6-8H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine?
ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine is sourced from PubChem (CID 171627514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).