1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine

C18H23N3 — CID 83111170

IUPAC1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C18H23N3/c1-3-19-14(2)18-9-8-17(12-20-18)21-11-10-15-6-4-5-7-16(15)13-21/h4-9,12,14,19H,3,10-11,13H2,1-2H3
InChIKeyOXXNSPVIRBPBFU-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.31
Rot. Bonds4

About 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine

1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine (PubChem CID 83111170) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
PubChem CID83111170
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C18H23N3/c1-3-19-14(2)18-9-8-17(12-20-18)21-11-10-15-6-4-5-7-16(15)13-21/h4-9,12,14,19H,3,10-11,13H2,1-2H3
InChIKeyOXXNSPVIRBPBFU-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine (CID 83111170) is 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine is CCNC(C)c1ccc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine?
The InChIKey is OXXNSPVIRBPBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-19-14(2)18-9-8-17(12-20-18)21-11-10-15-6-4-5-7-16(15)13-21/h4-9,12,14,19H,3,10-11,13H2,1-2H3.
What are the key properties of 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine?
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 83111170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).