6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine

C16H19N3 — CID 107339976

IUPAC6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine
SMILESNc1ccc(CCN2CCc3ccccc3C2)nc1
InChIInChI=1S/C16H19N3/c17-15-5-6-16(18-11-15)8-10-19-9-7-13-3-1-2-4-14(13)12-19/h1-6,11H,7-10,12,17H2
InChIKeySWGVSAXRNYMLST-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.26
Rot. Bonds3

About 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine

6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine (PubChem CID 107339976) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine
PubChem CID107339976
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine
SMILESNc1ccc(CCN2CCc3ccccc3C2)nc1
InChIInChI=1S/C16H19N3/c17-15-5-6-16(18-11-15)8-10-19-9-7-13-3-1-2-4-14(13)12-19/h1-6,11H,7-10,12,17H2
InChIKeySWGVSAXRNYMLST-UHFFFAOYSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]pyridin-3-amine
CID 107340269
6-[2-(1,4-thiazepan-4-yl)ethyl]pyridin-3-amine
CID 107340112
6-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyridin-3-amine
CID 107339948
6-(3-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 154654076
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyridin-3-ol
CID 82974168
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721177
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-amine;hydrochloride
CID 68962885
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine (CID 107339976) is 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine is Nc1ccc(CCN2CCc3ccccc3C2)nc1.
What is the InChIKey of 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine?
The InChIKey is SWGVSAXRNYMLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-15-5-6-16(18-11-15)8-10-19-9-7-13-3-1-2-4-14(13)12-19/h1-6,11H,7-10,12,17H2.
What are the key properties of 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine?
6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine has a molecular weight of 253.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 107339976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).