1-(4-methylisoquinolin-1-yl)ethanamine

C12H14N2 — CID 82575727

IUPAC1-(4-methylisoquinolin-1-yl)ethanamine
SMILESCc1cnc(C(C)N)c2ccccc12
InChIInChI=1S/C12H14N2/c1-8-7-14-12(9(2)13)11-6-4-3-5-10(8)11/h3-7,9H,13H2,1-2H3
InChIKeyTVMOROVXNKPHJG-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.56
Rot. Bonds1

About 1-(4-methylisoquinolin-1-yl)ethanamine

1-(4-methylisoquinolin-1-yl)ethanamine (PubChem CID 82575727) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(4-methylisoquinolin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methylisoquinolin-1-yl)ethanamine
PubChem CID82575727
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(4-methylisoquinolin-1-yl)ethanamine
SMILESCc1cnc(C(C)N)c2ccccc12
InChIInChI=1S/C12H14N2/c1-8-7-14-12(9(2)13)11-6-4-3-5-10(8)11/h3-7,9H,13H2,1-2H3
InChIKeyTVMOROVXNKPHJG-UHFFFAOYSA-N
XLogP2.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
1-cyclohexyl-4-methylisoquinoline
CID 72544132
4-tert-butyl-1-propan-2-ylisoquinoline
CID 170136172
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride
CID 175402454
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methylisoquinoline
CID 12507589
(1R)-1-isoquinolin-3-ylethanamine
CID 131033550
1-(3-chloro-5-methyl-2-pyridinyl)ethanamine
CID 172571190
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
CID 103432065
(1R)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 171313788
(1R)-1-(4-methylnaphthalen-1-yl)propan-1-amine
CID 78961015

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylisoquinolin-1-yl)ethanamine?
The IUPAC name of 1-(4-methylisoquinolin-1-yl)ethanamine (CID 82575727) is 1-(4-methylisoquinolin-1-yl)ethanamine.
What is the SMILES notation for 1-(4-methylisoquinolin-1-yl)ethanamine?
The canonical SMILES for 1-(4-methylisoquinolin-1-yl)ethanamine is Cc1cnc(C(C)N)c2ccccc12.
What is the InChIKey of 1-(4-methylisoquinolin-1-yl)ethanamine?
The InChIKey is TVMOROVXNKPHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-7-14-12(9(2)13)11-6-4-3-5-10(8)11/h3-7,9H,13H2,1-2H3.
What are the key properties of 1-(4-methylisoquinolin-1-yl)ethanamine?
1-(4-methylisoquinolin-1-yl)ethanamine has a molecular weight of 186.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylisoquinolin-1-yl)ethanamine is sourced from PubChem (CID 82575727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).