N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine

C18H22N2O — CID 62323863

IUPACN-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N2O/c1-2-19-13-16-8-5-11-20-18(16)21-17-10-9-14-6-3-4-7-15(14)12-17/h5,8-12,19H,2-4,6-7,13H2,1H3
InChIKeyFWSVQQKEGHZEGY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.86
Rot. Bonds5

About N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine

N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 62323863) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine
PubChem CID62323863
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N2O/c1-2-19-13-16-8-5-11-20-18(16)21-17-10-9-14-6-3-4-7-15(14)12-17/h5,8-12,19H,2-4,6-7,13H2,1H3
InChIKeyFWSVQQKEGHZEGY-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine (CID 62323863) is N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is FWSVQQKEGHZEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-19-13-16-8-5-11-20-18(16)21-17-10-9-14-6-3-4-7-15(14)12-17/h5,8-12,19H,2-4,6-7,13H2,1H3.
What are the key properties of N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine?
N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 282.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62323863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).