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

C19H24N2O3 — CID 166752836

IUPACN-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine
SMILESCNC[C@H]1CC(OCc2cccc(OCc3ccccn3)c2)CO1
InChIInChI=1S/C19H24N2O3/c1-20-11-18-10-19(14-24-18)22-12-15-5-4-7-17(9-15)23-13-16-6-2-3-8-21-16/h2-9,18-20H,10-14H2,1H3/t18-,19?/m1/s1
InChIKeyPZIDKSHMDDQLAH-MRTLOADZSA-N
MW328.41 g/mol
LogP2.55
Rot. Bonds8

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

N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine (PubChem CID 166752836) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine
PubChem CID166752836
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine
SMILESCNC[C@H]1CC(OCc2cccc(OCc3ccccn3)c2)CO1
InChIInChI=1S/C19H24N2O3/c1-20-11-18-10-19(14-24-18)22-12-15-5-4-7-17(9-15)23-13-16-6-2-3-8-21-16/h2-9,18-20H,10-14H2,1H3/t18-,19?/m1/s1
InChIKeyPZIDKSHMDDQLAH-MRTLOADZSA-N
XLogP2.55
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine (CID 166752836) is N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine is CNC[C@H]1CC(OCc2cccc(OCc3ccccn3)c2)CO1.
What is the InChIKey of N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine?
The InChIKey is PZIDKSHMDDQLAH-MRTLOADZSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-20-11-18-10-19(14-24-18)22-12-15-5-4-7-17(9-15)23-13-16-6-2-3-8-21-16/h2-9,18-20H,10-14H2,1H3/t18-,19?/m1/s1.
What are the key properties of N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine?
N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine has a molecular weight of 328.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methoxy]oxolan-2-yl]methanamine is sourced from PubChem (CID 166752836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).