2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine

C15H21ClN2O3 — CID 162728803

IUPAC2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(Cl)nc2c1CCOC21CCOC1
InChIInChI=1S/C15H21ClN2O3/c1-18(2)5-8-20-12-9-13(16)17-14-11(12)3-6-21-15(14)4-7-19-10-15/h9H,3-8,10H2,1-2H3
InChIKeyNPPSDWIGSMMXAC-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.86
Rot. Bonds4

About 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine

2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine (PubChem CID 162728803) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine
PubChem CID162728803
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(Cl)nc2c1CCOC21CCOC1
InChIInChI=1S/C15H21ClN2O3/c1-18(2)5-8-20-12-9-13(16)17-14-11(12)3-6-21-15(14)4-7-19-10-15/h9H,3-8,10H2,1-2H3
InChIKeyNPPSDWIGSMMXAC-UHFFFAOYSA-N
XLogP1.86
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxypropoxy]-N,N-dimethylethanamine
CID 169305639
2-chloro-4-(3-methoxybutoxy)spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]
CID 175206156
4-[(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxymethyl]oxane-4-carbonitrile
CID 168877012
N-[3-[4-[2-(3-methoxyoxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011602
2-chloro-4-(oxetan-3-ylmethoxy)spiro[6,7-dihydro-5H-quinoline-8,3'-oxolane]
CID 168876932
N-[1-methyl-3-[4-[2-(oxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011604
2-chlorospiro[5H-furo[3,4-b]pyridine-7,3'-oxolane]
CID 162728885
2-(3,4-dichlorophenoxy)-N,N-dimethylethanamine
CID 86117410
2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine
CID 71302501
[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]boronic acid
CID 53216473
N-[1-methyl-3-[4-(3-methyloxetan-3-yl)oxyspiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]formamide
CID 170012424
2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
CID 63375545

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine (CID 162728803) is 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine is CN(C)CCOc1cc(Cl)nc2c1CCOC21CCOC1.
What is the InChIKey of 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine?
The InChIKey is NPPSDWIGSMMXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-18(2)5-8-20-12-9-13(16)17-14-11(12)3-6-21-15(14)4-7-19-10-15/h9H,3-8,10H2,1-2H3.
What are the key properties of 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine?
2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine has a molecular weight of 312.80 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorospiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-4-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 162728803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).