[5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

C17H20N2O — CID 24989537

IUPAC[5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCOc1ncccc1-c1cccc2c1CCC(CN)C2
InChIInChI=1S/C17H20N2O/c1-20-17-16(6-3-9-19-17)15-5-2-4-13-10-12(11-18)7-8-14(13)15/h2-6,9,12H,7-8,10-11,18H2,1H3
InChIKeyZPVDKWZZBLZFMT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.82
Rot. Bonds3

About [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

[5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (PubChem CID 24989537) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
PubChem CID24989537
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCOc1ncccc1-c1cccc2c1CCC(CN)C2
InChIInChI=1S/C17H20N2O/c1-20-17-16(6-3-9-19-17)15-5-2-4-13-10-12(11-18)7-8-14(13)15/h2-6,9,12H,7-8,10-11,18H2,1H3
InChIKeyZPVDKWZZBLZFMT-UHFFFAOYSA-N
XLogP2.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The IUPAC name of [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (CID 24989537) is [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.
What is the SMILES notation for [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The canonical SMILES for [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is COc1ncccc1-c1cccc2c1CCC(CN)C2.
What is the InChIKey of [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The InChIKey is ZPVDKWZZBLZFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-17-16(6-3-9-19-17)15-5-2-4-13-10-12(11-18)7-8-14(13)15/h2-6,9,12H,7-8,10-11,18H2,1H3.
What are the key properties of [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
[5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is sourced from PubChem (CID 24989537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).