1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine

C16H20N2O2 — CID 43279425

IUPAC1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ccccn2)c(OC)c1
InChIInChI=1S/C16H20N2O2/c1-12(17-2)13-7-8-15(16(10-13)19-3)20-11-14-6-4-5-9-18-14/h4-10,12,17H,11H2,1-3H3
InChIKeyIBCLBHBSGWKJJG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds6

About 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine

1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine (PubChem CID 43279425) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
PubChem CID43279425
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2ccccn2)c(OC)c1
InChIInChI=1S/C16H20N2O2/c1-12(17-2)13-7-8-15(16(10-13)19-3)20-11-14-6-4-5-9-18-14/h4-10,12,17H,11H2,1-3H3
InChIKeyIBCLBHBSGWKJJG-UHFFFAOYSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-methyl-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 43505122
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine
CID 67689826
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
1-[3-chloro-4-(2-pyridin-2-ylethoxy)phenyl]-N-methylethanamine
CID 62911734
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
1-[3-methoxy-4-(2-pyridin-3-ylethoxy)phenyl]-N-methylethanamine
CID 63264668
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276444

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine (CID 43279425) is 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2ccccn2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine?
The InChIKey is IBCLBHBSGWKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(17-2)13-7-8-15(16(10-13)19-3)20-11-14-6-4-5-9-18-14/h4-10,12,17H,11H2,1-3H3.
What are the key properties of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine?
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 43279425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).