1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine

C15H22N2O3 — CID 115314948

IUPAC1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C(C)c2ccc3c(c2)OCO3)CCO1
InChIInChI=1S/C15H22N2O3/c1-10(16)15-8-17(5-6-18-15)11(2)12-3-4-13-14(7-12)20-9-19-13/h3-4,7,10-11,15H,5-6,8-9,16H2,1-2H3
InChIKeySOJCHKRLWMMTPQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.52
Rot. Bonds3

About 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine

1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine (PubChem CID 115314948) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
PubChem CID115314948
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C(C)c2ccc3c(c2)OCO3)CCO1
InChIInChI=1S/C15H22N2O3/c1-10(16)15-8-17(5-6-18-15)11(2)12-3-4-13-14(7-12)20-9-19-13/h3-4,7,10-11,15H,5-6,8-9,16H2,1-2H3
InChIKeySOJCHKRLWMMTPQ-UHFFFAOYSA-N
XLogP1.52
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314847
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-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 55029462
1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
CID 81491606
1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]ethanamine
CID 63595990
1-[4-[1-(4-methylphenyl)propyl]morpholin-2-yl]ethanamine
CID 115314999
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
CID 115314994
1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
CID 6917732
2-[4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118911376
(1E,3Z)-1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145023395
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpiperidin-4-amine
CID 115311841

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine (CID 115314948) is 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine is CC(N)C1CN(C(C)c2ccc3c(c2)OCO3)CCO1.
What is the InChIKey of 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine?
The InChIKey is SOJCHKRLWMMTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(16)15-8-17(5-6-18-15)11(2)12-3-4-13-14(7-12)20-9-19-13/h3-4,7,10-11,15H,5-6,8-9,16H2,1-2H3.
What are the key properties of 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine?
1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine has a molecular weight of 278.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 115314948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).