1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone

C16H24N2O3 — CID 81497197

IUPAC1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCOC(C(C)N)C1
InChIInChI=1S/C16H24N2O3/c1-11(17)16-10-18(6-7-21-16)9-14-8-13(12(2)19)4-5-15(14)20-3/h4-5,8,11,16H,6-7,9-10,17H2,1-3H3
InChIKeyRCMIZORJMCERDU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.45
Rot. Bonds5

About 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone

1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone (PubChem CID 81497197) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
PubChem CID81497197
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN1CCOC(C(C)N)C1
InChIInChI=1S/C16H24N2O3/c1-11(17)16-10-18(6-7-21-16)9-14-8-13(12(2)19)4-5-15(14)20-3/h4-5,8,11,16H,6-7,9-10,17H2,1-3H3
InChIKeyRCMIZORJMCERDU-UHFFFAOYSA-N
XLogP1.45
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone (CID 81497197) is 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1CN1CCOC(C(C)N)C1.
What is the InChIKey of 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone?
The InChIKey is RCMIZORJMCERDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(17)16-10-18(6-7-21-16)9-14-8-13(12(2)19)4-5-15(14)20-3/h4-5,8,11,16H,6-7,9-10,17H2,1-3H3.
What are the key properties of 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone?
1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(1-aminoethyl)morpholin-4-yl]methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 81497197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).