(2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine

C11H17ClN2O — CID 177205141

IUPAC(2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine
SMILESCCCC[C@@H](CN)Oc1cccc(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-2-3-5-9(8-13)15-11-7-4-6-10(12)14-11/h4,6-7,9H,2-3,5,8,13H2,1H3/t9-/m0/s1
InChIKeyJDGLFDJRZBPPIQ-VIFPVBQESA-N
MW228.72 g/mol
LogP2.63
Rot. Bonds6

About (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine

(2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine (PubChem CID 177205141) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine
PubChem CID177205141
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name(2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine
SMILESCCCC[C@@H](CN)Oc1cccc(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-2-3-5-9(8-13)15-11-7-4-6-10(12)14-11/h4,6-7,9H,2-3,5,8,13H2,1H3/t9-/m0/s1
InChIKeyJDGLFDJRZBPPIQ-VIFPVBQESA-N
XLogP2.63
TPSA48.14 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-Bis(2-(dimethylamino)ethoxy)pyridine
CID 96392
2-Chloro-6-ethoxypyridine
CID 98563
2-Chloro-6-methoxypyridine
CID 87009
(2S)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9877669
(2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
CID 9942434
(2S)-1-[(6-chloro-3-pyridinyl)oxy]propan-2-amine
CID 9964291
(2S)-1-[(6-chloro-3-pyridinyl)oxy]butan-2-amine
CID 12112027
3-[[(2S)-azetidin-2-yl]methoxy]-6-chloro-2-methylpyridine
CID 44327719
2-tert-Butoxy-6-chloropyridine
CID 11984350
(2R)-1-[(6-chloro-3-pyridinyl)oxy]propan-2-amine
CID 9834147
2-[(6-chloro-3-pyridinyl)oxy]-N-methylethanamine
CID 44341028
5-Chloro-2-(piperidin-3-yloxy)pyridine
CID 62348173

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine?
The IUPAC name of (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine (CID 177205141) is (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine.
What is the SMILES notation for (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine?
The canonical SMILES for (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine is CCCC[C@@H](CN)Oc1cccc(Cl)n1.
What is the InChIKey of (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine?
The InChIKey is JDGLFDJRZBPPIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-2-3-5-9(8-13)15-11-7-4-6-10(12)14-11/h4,6-7,9H,2-3,5,8,13H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine?
(2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine has a molecular weight of 228.72 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-2-pyridinyl)oxy]hexan-1-amine is sourced from PubChem (CID 177205141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).