1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine

C19H24N2O3 — CID 99931473

IUPAC1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
SMILESCN(Cc1cccc(OCc2ccccn2)c1)C[C@@H]1COCCO1
InChIInChI=1S/C19H24N2O3/c1-21(13-19-15-22-9-10-23-19)12-16-5-4-7-18(11-16)24-14-17-6-2-3-8-20-17/h2-8,11,19H,9-10,12-15H2,1H3/t19-/m1/s1
InChIKeyFIRVUNFEGRTMMI-LJQANCHMSA-N
MW328.41 g/mol
LogP2.51
Rot. Bonds7

About 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine

1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine (PubChem CID 99931473) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
PubChem CID99931473
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
SMILESCN(Cc1cccc(OCc2ccccn2)c1)C[C@@H]1COCCO1
InChIInChI=1S/C19H24N2O3/c1-21(13-19-15-22-9-10-23-19)12-16-5-4-7-18(11-16)24-14-17-6-2-3-8-20-17/h2-8,11,19H,9-10,12-15H2,1H3/t19-/m1/s1
InChIKeyFIRVUNFEGRTMMI-LJQANCHMSA-N
XLogP2.51
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine with MolForge

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Related Compounds

N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43564926
1-[(2R)-4-methylmorpholin-2-yl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 95302096
2-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 28534890
1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine
CID 77093431
N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine
CID 166752836
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine
CID 164856299
2-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-methoxy-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine
CID 164856213
N-ethyl-1,1-dioxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiolan-3-amine
CID 70718623
2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine
CID 12919852
(4aS,7aS)-4-methyl-6-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97160029
2-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]oxymethyl]pyridine
CID 91830622
3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine (CID 99931473) is 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine is CN(Cc1cccc(OCc2ccccn2)c1)C[C@@H]1COCCO1.
What is the InChIKey of 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine?
The InChIKey is FIRVUNFEGRTMMI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21(13-19-15-22-9-10-23-19)12-16-5-4-7-18(11-16)24-14-17-6-2-3-8-20-17/h2-8,11,19H,9-10,12-15H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine?
1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine has a molecular weight of 328.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 99931473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).