N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine

C11H17ClN2O2 — CID 115697129

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2O2/c1-9(8-15-2)13-5-6-16-11-4-3-10(12)7-14-11/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyAOIHLWMAVMXKAE-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.74
Rot. Bonds7

About N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine (PubChem CID 115697129) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
PubChem CID115697129
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2O2/c1-9(8-15-2)13-5-6-16-11-4-3-10(12)7-14-11/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyAOIHLWMAVMXKAE-UHFFFAOYSA-N
XLogP1.74
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.74
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-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
CID 115893937
5-chloro-2-(1-methoxypropan-2-yloxy)pyridine
CID 66231644
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876783
N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 64601439
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
CID 55088685
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,2-dimethylpropan-1-amine
CID 115697912
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
1-methoxy-N-[2-(2,3,4,5,6-pentachlorophenoxy)ethyl]propan-2-amine
CID 63515565
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504370
1-methoxy-N-[2-(2-methylphenoxy)ethyl]propan-2-amine
CID 60688548

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine (CID 115697129) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine is COCC(C)NCCOc1ccc(Cl)cn1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine?
The InChIKey is AOIHLWMAVMXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-9(8-15-2)13-5-6-16-11-4-3-10(12)7-14-11/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine has a molecular weight of 244.72 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 115697129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).