N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine

C11H17ClN2O2 — CID 64601439

IUPACN-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1cncc(Cl)c1
InChIInChI=1S/C11H17ClN2O2/c1-9(8-15-2)14-3-4-16-11-5-10(12)6-13-7-11/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyLEPAWMXFSMTFAO-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.74
Rot. Bonds7

About N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine

N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine (PubChem CID 64601439) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
PubChem CID64601439
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCOc1cncc(Cl)c1
InChIInChI=1S/C11H17ClN2O2/c1-9(8-15-2)14-3-4-16-11-5-10(12)6-13-7-11/h5-7,9,14H,3-4,8H2,1-2H3
InChIKeyLEPAWMXFSMTFAO-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

1-methoxy-N-[2-(2,4,6-trichlorophenoxy)ethyl]propan-2-amine
CID 55088685
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 115697129
3-chloro-5-(2-chloroethoxy)pyridine
CID 10559633
1-methoxy-N-[2-(2,3,4,5,6-pentachlorophenoxy)ethyl]propan-2-amine
CID 63515565
N-[2-(4-bromophenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688516
3-chloro-5-(4-chlorobutoxy)pyridine
CID 64601364
N-[2-(4-tert-butylphenoxy)ethyl]-1-methoxypropan-2-amine
CID 60688624
N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-3-methylaniline
CID 64601633
4-bromo-N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]aniline
CID 64601611
methyl 2-bromo-3-[(5-chloro-3-pyridinyl)oxy]propanoate
CID 81092460
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine (CID 64601439) is N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine is COCC(C)NCCOc1cncc(Cl)c1.
What is the InChIKey of N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine?
The InChIKey is LEPAWMXFSMTFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-9(8-15-2)14-3-4-16-11-5-10(12)6-13-7-11/h5-7,9,14H,3-4,8H2,1-2H3.
What are the key properties of N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine?
N-[2-[(5-chloro-3-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-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 64601439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).