1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine

C17H22N2O2 — CID 63264581

IUPAC1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cccc(CNC)c1OCCc1cccnc1
InChIInChI=1S/C17H22N2O2/c1-3-20-16-8-4-7-15(13-18-2)17(16)21-11-9-14-6-5-10-19-12-14/h4-8,10,12,18H,3,9,11,13H2,1-2H3
InChIKeyNKCCZNCJBKEXMK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.82
Rot. Bonds8

About 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine

1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine (PubChem CID 63264581) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
PubChem CID63264581
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cccc(CNC)c1OCCc1cccnc1
InChIInChI=1S/C17H22N2O2/c1-3-20-16-8-4-7-15(13-18-2)17(16)21-11-9-14-6-5-10-19-12-14/h4-8,10,12,18H,3,9,11,13H2,1-2H3
InChIKeyNKCCZNCJBKEXMK-UHFFFAOYSA-N
XLogP2.82
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43278943
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
1-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999649
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106292

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine (CID 63264581) is 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine is CCOc1cccc(CNC)c1OCCc1cccnc1.
What is the InChIKey of 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine?
The InChIKey is NKCCZNCJBKEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-20-16-8-4-7-15(13-18-2)17(16)21-11-9-14-6-5-10-19-12-14/h4-8,10,12,18H,3,9,11,13H2,1-2H3.
What are the key properties of 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine?
1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63264581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).