N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine

C18H22N2O — CID 83111621

IUPACN-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(Oc2ccc3c(c2)CCCC3)cn1
InChIInChI=1S/C18H22N2O/c1-13(19-2)18-10-9-17(12-20-18)21-16-8-7-14-5-3-4-6-15(14)11-16/h7-13,19H,3-6H2,1-2H3
InChIKeyRJYBAPIVNYUASN-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.03
Rot. Bonds4

About N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine

N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine (PubChem CID 83111621) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine
PubChem CID83111621
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(Oc2ccc3c(c2)CCCC3)cn1
InChIInChI=1S/C18H22N2O/c1-13(19-2)18-10-9-17(12-20-18)21-16-8-7-14-5-3-4-6-15(14)11-16/h7-13,19H,3-6H2,1-2H3
InChIKeyRJYBAPIVNYUASN-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine (CID 83111621) is N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine is CNC(C)c1ccc(Oc2ccc3c(c2)CCCC3)cn1.
What is the InChIKey of N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine?
The InChIKey is RJYBAPIVNYUASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(19-2)18-10-9-17(12-20-18)21-16-8-7-14-5-3-4-6-15(14)11-16/h7-13,19H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine?
N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83111621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).