2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine

C19H30N2O3 — CID 44581077

IUPAC2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2cccc(CN3CCOCC3)c2)C1
InChIInChI=1S/C19H30N2O3/c1-16(2)21-8-11-23-19(14-21)15-24-18-5-3-4-17(12-18)13-20-6-9-22-10-7-20/h3-5,12,16,19H,6-11,13-15H2,1-2H3
InChIKeyKGTSNEQWKPVWKC-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.01
Rot. Bonds6

About 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine

2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine (PubChem CID 44581077) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine
PubChem CID44581077
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(COc2cccc(CN3CCOCC3)c2)C1
InChIInChI=1S/C19H30N2O3/c1-16(2)21-8-11-23-19(14-21)15-24-18-5-3-4-17(12-18)13-20-6-9-22-10-7-20/h3-5,12,16,19H,6-11,13-15H2,1-2H3
InChIKeyKGTSNEQWKPVWKC-UHFFFAOYSA-N
XLogP2.01
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine (CID 44581077) is 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine is CC(C)N1CCOC(COc2cccc(CN3CCOCC3)c2)C1.
What is the InChIKey of 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine?
The InChIKey is KGTSNEQWKPVWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-16(2)21-8-11-23-19(14-21)15-24-18-5-3-4-17(12-18)13-20-6-9-22-10-7-20/h3-5,12,16,19H,6-11,13-15H2,1-2H3.
What are the key properties of 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine?
2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine has a molecular weight of 334.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(morpholin-4-ylmethyl)phenoxy]methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 44581077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).