2-(4-ethylisoquinolin-7-yl)ethanamine

C13H16N2 — CID 117289480

IUPAC2-(4-ethylisoquinolin-7-yl)ethanamine
SMILESCCc1cncc2cc(CCN)ccc12
InChIInChI=1S/C13H16N2/c1-2-11-8-15-9-12-7-10(5-6-14)3-4-13(11)12/h3-4,7-9H,2,5-6,14H2,1H3
InChIKeyAXNZWEIWOCRAPP-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.30
Rot. Bonds3

About 2-(4-ethylisoquinolin-7-yl)ethanamine

2-(4-ethylisoquinolin-7-yl)ethanamine (PubChem CID 117289480) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(4-ethylisoquinolin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylisoquinolin-7-yl)ethanamine
PubChem CID117289480
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-(4-ethylisoquinolin-7-yl)ethanamine
SMILESCCc1cncc2cc(CCN)ccc12
InChIInChI=1S/C13H16N2/c1-2-11-8-15-9-12-7-10(5-6-14)3-4-13(11)12/h3-4,7-9H,2,5-6,14H2,1H3
InChIKeyAXNZWEIWOCRAPP-UHFFFAOYSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
2-(3-ethyl-2H-indazol-5-yl)ethanamine
CID 105443877
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
3-(4-ethylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117350737
2-(4-ethylisoquinolin-7-yl)propanoic acid
CID 117330544
3-(4-methylisoquinolin-7-yl)propanal
CID 117288759
4-[4-(trifluoromethyl)isoquinolin-7-yl]butan-1-amine
CID 117424153
2-[3-[[5-(2-aminoethyl)-2-ethylphenyl]diazenyl]-4-ethylphenyl]ethanamine
CID 164763757
2-(1,2-benzothiazol-5-yl)ethanamine
CID 82599946
N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine
CID 117289513
4-(4-methylisoquinolin-7-yl)butanoic acid
CID 117330539
2-(3-bromo-2-ethylindazol-6-yl)ethanamine
CID 84729863

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylisoquinolin-7-yl)ethanamine?
The IUPAC name of 2-(4-ethylisoquinolin-7-yl)ethanamine (CID 117289480) is 2-(4-ethylisoquinolin-7-yl)ethanamine.
What is the SMILES notation for 2-(4-ethylisoquinolin-7-yl)ethanamine?
The canonical SMILES for 2-(4-ethylisoquinolin-7-yl)ethanamine is CCc1cncc2cc(CCN)ccc12.
What is the InChIKey of 2-(4-ethylisoquinolin-7-yl)ethanamine?
The InChIKey is AXNZWEIWOCRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-11-8-15-9-12-7-10(5-6-14)3-4-13(11)12/h3-4,7-9H,2,5-6,14H2,1H3.
What are the key properties of 2-(4-ethylisoquinolin-7-yl)ethanamine?
2-(4-ethylisoquinolin-7-yl)ethanamine has a molecular weight of 200.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylisoquinolin-7-yl)ethanamine is sourced from PubChem (CID 117289480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).