N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine

C16H19ClN2O2 — CID 114856955

IUPACN-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1Oc1ccc(C)nc1
InChIInChI=1S/C16H19ClN2O2/c1-12-3-5-15(11-19-12)21-16-6-4-14(17)9-13(16)10-18-7-8-20-2/h3-6,9,11,18H,7-8,10H2,1-2H3
InChIKeyAYBYOTNBZLBXLT-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.57
Rot. Bonds7

About N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine

N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 114856955) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID114856955
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(Cl)ccc1Oc1ccc(C)nc1
InChIInChI=1S/C16H19ClN2O2/c1-12-3-5-15(11-19-12)21-16-6-4-14(17)9-13(16)10-18-7-8-20-2/h3-6,9,11,18H,7-8,10H2,1-2H3
InChIKeyAYBYOTNBZLBXLT-UHFFFAOYSA-N
XLogP3.57
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114856111
N-[(5-chloro-2-phenoxyphenyl)methyl]-2-methoxyethanamine
CID 114855689
[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
N-[[4-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114856965
N-[[5-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63056038
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
N-[[5-chloro-2-(3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 114855609
N-[(2-bromo-5-chlorophenyl)methyl]-2-methoxyethanamine
CID 66161623
N-[[4-bromo-2-(4-chlorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63552735
N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 107169953
N-[[5-chloro-2-(4-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114855144

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine (CID 114856955) is N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(Cl)ccc1Oc1ccc(C)nc1.
What is the InChIKey of N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is AYBYOTNBZLBXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-12-3-5-15(11-19-12)21-16-6-4-14(17)9-13(16)10-18-7-8-20-2/h3-6,9,11,18H,7-8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine?
N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 306.79 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114856955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).