N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine

C17H22N2O2 — CID 62440305

IUPACN-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCOc1ccc(C)nc1
InChIInChI=1S/C17H22N2O2/c1-3-18-12-15-6-4-5-7-17(15)21-11-10-20-16-9-8-14(2)19-13-16/h4-9,13,18H,3,10-12H2,1-2H3
InChIKeyGVOXVYRVEKLAJS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.96
Rot. Bonds8

About N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine

N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine (PubChem CID 62440305) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
PubChem CID62440305
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCOc1ccc(C)nc1
InChIInChI=1S/C17H22N2O2/c1-3-18-12-15-6-4-5-7-17(15)21-11-10-20-16-9-8-14(2)19-13-16/h4-9,13,18H,3,10-12H2,1-2H3
InChIKeyGVOXVYRVEKLAJS-UHFFFAOYSA-N
XLogP2.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.96
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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Related Compounds

N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 92927976
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine (CID 62440305) is N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCCOc1ccc(C)nc1.
What is the InChIKey of N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine?
The InChIKey is GVOXVYRVEKLAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-18-12-15-6-4-5-7-17(15)21-11-10-20-16-9-8-14(2)19-13-16/h4-9,13,18H,3,10-12H2,1-2H3.
What are the key properties of N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine?
N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 62440305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).