(2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine

C9H13ClN2O — CID 9942434

IUPAC(2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
SMILESC[C@H](COC1=CN=C(C=C1)Cl)NC
InChIInChI=1S/C9H13ClN2O/c1-7(11-2)6-13-8-3-4-9(10)12-5-8/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1
InChIKeyJTPFBRCNZZDURN-SSDOTTSWSA-N
MW200.66 g/mol
LogP1.80
Rot. Bonds4

About (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine

(2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine (PubChem CID 9942434) has the molecular formula C9H13ClN2O and a molecular weight of 200.66 g/mol. Its IUPAC name is (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
PubChem CID9942434
Molecular FormulaC9H13ClN2O
Molecular Weight200.66 g/mol
Exact Mass200.07
IUPAC Name(2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine
SMILESC[C@H](COC1=CN=C(C=C1)Cl)NC
InChIInChI=1S/C9H13ClN2O/c1-7(11-2)6-13-8-3-4-9(10)12-5-8/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1
InChIKeyJTPFBRCNZZDURN-SSDOTTSWSA-N
XLogP1.80
TPSA34.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity146

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 51.80
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

Pozanicline
CID 178052
Tebanicline
CID 3075702
Ispronicline
CID 9824145
5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
3-((2S)-2-Azetidinylmethoxy)-5-iodo-pyridine
CID 6604876
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
5-((S)-1-Azetidin-2-ylmethoxy)-2-chloro-pyridine
CID 9815575
2-Fluoro-A-85380
CID 10241442
TC-2559
CID 9823180
3-Chloro-4-(2-pyridylmethoxy)aniline
CID 16781212

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine?
The IUPAC name of (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine (CID 9942434) is (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine.
What is the SMILES notation for (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine?
The canonical SMILES for (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine is C[C@H](COC1=CN=C(C=C1)Cl)NC.
What is the InChIKey of (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine?
The InChIKey is JTPFBRCNZZDURN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-7(11-2)6-13-8-3-4-9(10)12-5-8/h3-5,7,11H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine?
(2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine has a molecular weight of 200.66 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-methylpropan-2-amine is sourced from PubChem (CID 9942434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).