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

C17H22N2O2 — CID 43278943

IUPACN-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCC)c1OCc1cccnc1
InChIInChI=1S/C17H22N2O2/c1-3-18-12-15-8-5-9-16(20-4-2)17(15)21-13-14-7-6-10-19-11-14/h5-11,18H,3-4,12-13H2,1-2H3
InChIKeyRGAMAQZKGFTPBX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds8

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

N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 43278943) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID43278943
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCC)c1OCc1cccnc1
InChIInChI=1S/C17H22N2O2/c1-3-18-12-15-8-5-9-16(20-4-2)17(15)21-13-14-7-6-10-19-11-14/h5-11,18H,3-4,12-13H2,1-2H3
InChIKeyRGAMAQZKGFTPBX-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
(3-ethoxy-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
CID 63264581
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 53350927
N-[[5-chloro-3-methoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664670
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 43427709
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
N-[[3,5-dichloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 43515745

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine (CID 43278943) is N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OCC)c1OCc1cccnc1.
What is the InChIKey of N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is RGAMAQZKGFTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-18-12-15-8-5-9-16(20-4-2)17(15)21-13-14-7-6-10-19-11-14/h5-11,18H,3-4,12-13H2,1-2H3.
What are the key properties of N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43278943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).