N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine

C19H24N2O2 — CID 11758776

IUPACN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine
SMILESCOc1ccc2c(c1)CCC(CNCCOc1ccccn1)C2
InChIInChI=1S/C19H24N2O2/c1-22-18-8-7-16-12-15(5-6-17(16)13-18)14-20-10-11-23-19-4-2-3-9-21-19/h2-4,7-9,13,15,20H,5-6,10-12,14H2,1H3
InChIKeyXRIKYXQUZSHDJV-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.86
Rot. Bonds7

About N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine

N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 11758776) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine
PubChem CID11758776
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine
SMILESCOc1ccc2c(c1)CCC(CNCCOc1ccccn1)C2
InChIInChI=1S/C19H24N2O2/c1-22-18-8-7-16-12-15(5-6-17(16)13-18)14-20-10-11-23-19-4-2-3-9-21-19/h2-4,7-9,13,15,20H,5-6,10-12,14H2,1H3
InChIKeyXRIKYXQUZSHDJV-UHFFFAOYSA-N
XLogP2.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine (CID 11758776) is N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine is COc1ccc2c(c1)CCC(CNCCOc1ccccn1)C2.
What is the InChIKey of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is XRIKYXQUZSHDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-18-8-7-16-12-15(5-6-17(16)13-18)14-20-10-11-23-19-4-2-3-9-21-19/h2-4,7-9,13,15,20H,5-6,10-12,14H2,1H3.
What are the key properties of N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine?
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 312.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 11758776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).