(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine

C21H24N2O2 — CID 99936074

IUPAC(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine
SMILESCOC[C@@H](c1ccccn1)N(C)Cc1cccc(-c2ccc(C)o2)c1
InChIInChI=1S/C21H24N2O2/c1-16-10-11-21(25-16)18-8-6-7-17(13-18)14-23(2)20(15-24-3)19-9-4-5-12-22-19/h4-13,20H,14-15H2,1-3H3/t20-/m0/s1
InChIKeyOAAPYOLMHQLDDR-FQEVSTJZSA-N
MW336.44 g/mol
LogP4.47
Rot. Bonds7

About (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine

(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine (PubChem CID 99936074) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine
PubChem CID99936074
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine
SMILESCOC[C@@H](c1ccccn1)N(C)Cc1cccc(-c2ccc(C)o2)c1
InChIInChI=1S/C21H24N2O2/c1-16-10-11-21(25-16)18-8-6-7-17(13-18)14-23(2)20(15-24-3)19-9-4-5-12-22-19/h4-13,20H,14-15H2,1-3H3/t20-/m0/s1
InChIKeyOAAPYOLMHQLDDR-FQEVSTJZSA-N
XLogP4.47
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine (CID 99936074) is (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine is COC[C@@H](c1ccccn1)N(C)Cc1cccc(-c2ccc(C)o2)c1.
What is the InChIKey of (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine?
The InChIKey is OAAPYOLMHQLDDR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-10-11-21(25-16)18-8-6-7-17(13-18)14-23(2)20(15-24-3)19-9-4-5-12-22-19/h4-13,20H,14-15H2,1-3H3/t20-/m0/s1.
What are the key properties of (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine?
(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine has a molecular weight of 336.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 99936074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).