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

C16H26N2O3 — CID 83101803

IUPACN-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1CCOc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-3-17-12-14-13-20-10-8-18(14)9-11-21-16-6-4-15(19-2)5-7-16/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyUMNIXSMHBXPRTC-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.38
Rot. Bonds8

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

N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine (PubChem CID 83101803) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine
PubChem CID83101803
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1CCOc1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-3-17-12-14-13-20-10-8-18(14)9-11-21-16-6-4-15(19-2)5-7-16/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyUMNIXSMHBXPRTC-UHFFFAOYSA-N
XLogP1.38
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine (CID 83101803) is N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1CCOc1ccc(OC)cc1.
What is the InChIKey of N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine?
The InChIKey is UMNIXSMHBXPRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-17-12-14-13-20-10-8-18(14)9-11-21-16-6-4-15(19-2)5-7-16/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine?
N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine has a molecular weight of 294.39 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83101803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).