1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine

C16H24N2O3 — CID 115314847

IUPAC1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C(C)c2ccc3c(c2)OCCO3)CCO1
InChIInChI=1S/C16H24N2O3/c1-11(17)16-10-18(5-6-19-16)12(2)13-3-4-14-15(9-13)21-8-7-20-14/h3-4,9,11-12,16H,5-8,10,17H2,1-2H3
InChIKeyFJOCGQPBJCXOHL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.57
Rot. Bonds3

About 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine

1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine (PubChem CID 115314847) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
PubChem CID115314847
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C(C)c2ccc3c(c2)OCCO3)CCO1
InChIInChI=1S/C16H24N2O3/c1-11(17)16-10-18(5-6-19-16)12(2)13-3-4-14-15(9-13)21-8-7-20-14/h3-4,9,11-12,16H,5-8,10,17H2,1-2H3
InChIKeyFJOCGQPBJCXOHL-UHFFFAOYSA-N
XLogP1.57
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314948
1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
CID 115314814
4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline
CID 115314805
1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]ethanamine
CID 63595990
1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
CID 81491606
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine
CID 115311841
1-[4-[1-(4-methylphenyl)propyl]morpholin-2-yl]ethanamine
CID 115314999
[1-[1-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 55029462
[2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylmorpholin-2-yl)methyl]hydrazine
CID 105247691
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
CID 115314994
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azetidine-3-carboxylic acid
CID 65071687

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine (CID 115314847) is 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine is CC(N)C1CN(C(C)c2ccc3c(c2)OCCO3)CCO1.
What is the InChIKey of 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine?
The InChIKey is FJOCGQPBJCXOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(17)16-10-18(5-6-19-16)12(2)13-3-4-14-15(9-13)21-8-7-20-14/h3-4,9,11-12,16H,5-8,10,17H2,1-2H3.
What are the key properties of 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine?
1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine has a molecular weight of 292.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 115314847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).