2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

C12H18N2 — CID 69387751

IUPAC2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCC1c2ccccc2CCN1CCN
InChIInChI=1S/C12H18N2/c1-10-12-5-3-2-4-11(12)6-8-14(10)9-7-13/h2-5,10H,6-9,13H2,1H3
InChIKeyGCTOAOZHSWROAB-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.56
Rot. Bonds2

About 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine

2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (PubChem CID 69387751) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
PubChem CID69387751
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
SMILESCC1c2ccccc2CCN1CCN
InChIInChI=1S/C12H18N2/c1-10-12-5-3-2-4-11(12)6-8-14(10)9-7-13/h2-5,10H,6-9,13H2,1H3
InChIKeyGCTOAOZHSWROAB-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanol
CID 139381518
1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 23043046
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenoxy)propan-2-ol
CID 167550979
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 171702269
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
3,5-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one;ethane
CID 90705389
(1S)-2-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-isoquinoline
CID 175310429
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591
[4-[[(1S)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]methanamine
CID 174860647
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171702388

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The IUPAC name of 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine (CID 69387751) is 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is CC1c2ccccc2CCN1CCN.
What is the InChIKey of 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
The InChIKey is GCTOAOZHSWROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-12-5-3-2-4-11(12)6-8-14(10)9-7-13/h2-5,10H,6-9,13H2,1H3.
What are the key properties of 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine?
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine is sourced from PubChem (CID 69387751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).