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

C11H17ClN2O — CID 115876783

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOc1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2O/c1-9(2)7-13-5-6-15-11-4-3-10(12)8-14-11/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyIHEVYTXFHILXKG-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.36
Rot. Bonds6

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

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine (PubChem CID 115876783) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
PubChem CID115876783
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOc1ccc(Cl)cn1
InChIInChI=1S/C11H17ClN2O/c1-9(2)7-13-5-6-15-11-4-3-10(12)8-14-11/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyIHEVYTXFHILXKG-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-2,2-dimethylpropan-1-amine
CID 115697912
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 115697129
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876782
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-cyclopropylethanamine
CID 115893937
(2S)-2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-methylpentanamide;dihydrochloride
CID 119900805
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504370
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropanamide
CID 119900750
5-chloro-2-ethoxypyridine
CID 4738274
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine (CID 115876783) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine is CC(C)CNCCOc1ccc(Cl)cn1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is IHEVYTXFHILXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-9(2)7-13-5-6-15-11-4-3-10(12)8-14-11/h3-4,8-9,13H,5-7H2,1-2H3.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 228.72 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115876783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).