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

C11H17ClN2O — CID 115876782

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOc1ncccc1Cl
InChIInChI=1S/C11H17ClN2O/c1-9(2)8-13-6-7-15-11-10(12)4-3-5-14-11/h3-5,9,13H,6-8H2,1-2H3
InChIKeyZYYYKGAVZWIXGR-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.36
Rot. Bonds6

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

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine (PubChem CID 115876782) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
PubChem CID115876782
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOc1ncccc1Cl
InChIInChI=1S/C11H17ClN2O/c1-9(2)8-13-6-7-15-11-10(12)4-3-5-14-11/h3-5,9,13H,6-8H2,1-2H3
InChIKeyZYYYKGAVZWIXGR-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-methylpropan-1-amine
CID 115876783
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62290330
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 97073674
1-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71918299
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 82727666
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide
CID 75381167
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine (CID 115876782) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine is CC(C)CNCCOc1ncccc1Cl.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is ZYYYKGAVZWIXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-9(2)8-13-6-7-15-11-10(12)4-3-5-14-11/h3-5,9,13H,6-8H2,1-2H3.
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine?
N-[2-[(3-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-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115876782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).