3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine

C14H22N2O3 — CID 112500977

IUPAC3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
SMILESCOc1cccc(OCC(CN)N2CCOCC2)c1
InChIInChI=1S/C14H22N2O3/c1-17-13-3-2-4-14(9-13)19-11-12(10-15)16-5-7-18-8-6-16/h2-4,9,12H,5-8,10-11,15H2,1H3
InChIKeyJAZNDQRHYGDMMU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.73
Rot. Bonds6

About 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine

3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine (PubChem CID 112500977) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
PubChem CID112500977
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
SMILESCOc1cccc(OCC(CN)N2CCOCC2)c1
InChIInChI=1S/C14H22N2O3/c1-17-13-3-2-4-14(9-13)19-11-12(10-15)16-5-7-18-8-6-16/h2-4,9,12H,5-8,10-11,15H2,1H3
InChIKeyJAZNDQRHYGDMMU-UHFFFAOYSA-N
XLogP0.73
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine (CID 112500977) is 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine is COc1cccc(OCC(CN)N2CCOCC2)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine?
The InChIKey is JAZNDQRHYGDMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-13-3-2-4-14(9-13)19-11-12(10-15)16-5-7-18-8-6-16/h2-4,9,12H,5-8,10-11,15H2,1H3.
What are the key properties of 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine?
3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine has a molecular weight of 266.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 112500977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).