N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine

C16H20N2O2 — CID 43427709

IUPACN-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCc1ccncc1
InChIInChI=1S/C16H20N2O2/c1-3-17-11-14-5-4-6-15(19-2)16(14)20-12-13-7-9-18-10-8-13/h4-10,17H,3,11-12H2,1-2H3
InChIKeyXFEATBLGIDDNEV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds7

About N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine

N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 43427709) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID43427709
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCc1ccncc1
InChIInChI=1S/C16H20N2O2/c1-3-17-11-14-5-4-6-15(19-2)16(14)20-12-13-7-9-18-10-8-13/h4-10,17H,3,11-12H2,1-2H3
InChIKeyXFEATBLGIDDNEV-UHFFFAOYSA-N
XLogP2.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162182
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17290756
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 1017197
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine (CID 43427709) is N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OC)c1OCc1ccncc1.
What is the InChIKey of N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is XFEATBLGIDDNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-17-11-14-5-4-6-15(19-2)16(14)20-12-13-7-9-18-10-8-13/h4-10,17H,3,11-12H2,1-2H3.
What are the key properties of N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine?
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43427709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).