N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine

C17H27NO3 — CID 62382212

IUPACN-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCOCC1)c1ccccc1OC
InChIInChI=1S/C17H27NO3/c1-3-18-12-17(15-6-4-5-7-16(15)19-2)21-13-14-8-10-20-11-9-14/h4-7,14,17-18H,3,8-13H2,1-2H3
InChIKeySTKBFFHUJNYJLC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.79
Rot. Bonds8

About N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine

N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine (PubChem CID 62382212) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
PubChem CID62382212
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine
SMILESCCNCC(OCC1CCOCC1)c1ccccc1OC
InChIInChI=1S/C17H27NO3/c1-3-18-12-17(15-6-4-5-7-16(15)19-2)21-13-14-8-10-20-11-9-14/h4-7,14,17-18H,3,8-13H2,1-2H3
InChIKeySTKBFFHUJNYJLC-UHFFFAOYSA-N
XLogP2.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine (CID 62382212) is N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine is CCNCC(OCC1CCOCC1)c1ccccc1OC.
What is the InChIKey of N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine?
The InChIKey is STKBFFHUJNYJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-18-12-17(15-6-4-5-7-16(15)19-2)21-13-14-8-10-20-11-9-14/h4-7,14,17-18H,3,8-13H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine?
N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyphenyl)-2-(oxan-4-ylmethoxy)ethanamine is sourced from PubChem (CID 62382212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).