N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine

C17H27NO3 — CID 91844313

IUPACN-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCOc1cccc(OCCN(C)CCC2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-18(9-6-15-7-11-20-12-8-15)10-13-21-17-5-3-4-16(14-17)19-2/h3-5,14-15H,6-13H2,1-2H3
InChIKeyPUGHOXGIZYVFCP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.82
Rot. Bonds8

About N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine

N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 91844313) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID91844313
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCOc1cccc(OCCN(C)CCC2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-18(9-6-15-7-11-20-12-8-15)10-13-21-17-5-3-4-16(14-17)19-2/h3-5,14-15H,6-13H2,1-2H3
InChIKeyPUGHOXGIZYVFCP-UHFFFAOYSA-N
XLogP2.82
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxan-4-ylmethyl)ethanamine
CID 63706671
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
3-[2-(oxan-4-yl)ethoxy]phenol
CID 59526880
4-(3-methoxyphenyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]benzamide
CID 91768176
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
4-[3-(3,4-dimethylphenoxy)propyl]oxane
CID 165029250
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1-[5-methoxy-2-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45168930

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine (CID 91844313) is N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine is COc1cccc(OCCN(C)CCC2CCOCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is PUGHOXGIZYVFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-18(9-6-15-7-11-20-12-8-15)10-13-21-17-5-3-4-16(14-17)19-2/h3-5,14-15H,6-13H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine?
N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 91844313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).