3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine

C16H24N2O2 — CID 86678630

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine
SMILESCNCCC(c1ccc2c(c1)CCO2)C1CNCCO1
InChIInChI=1S/C16H24N2O2/c1-17-6-4-14(16-11-18-7-9-20-16)12-2-3-15-13(10-12)5-8-19-15/h2-3,10,14,16-18H,4-9,11H2,1H3
InChIKeyFQJGUTBMCYYWPO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.30
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine (PubChem CID 86678630) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine
PubChem CID86678630
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine
SMILESCNCCC(c1ccc2c(c1)CCO2)C1CNCCO1
InChIInChI=1S/C16H24N2O2/c1-17-6-4-14(16-11-18-7-9-20-16)12-2-3-15-13(10-12)5-8-19-15/h2-3,10,14,16-18H,4-9,11H2,1H3
InChIKeyFQJGUTBMCYYWPO-UHFFFAOYSA-N
XLogP1.30
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethyl-3-morpholin-2-ylpropan-1-amine
CID 86678629
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(methylamino)butane-1,2-diol
CID 171890368
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43482564
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 104542726
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine (CID 86678630) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine is CNCCC(c1ccc2c(c1)CCO2)C1CNCCO1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine?
The InChIKey is FQJGUTBMCYYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-6-4-14(16-11-18-7-9-20-16)12-2-3-15-13(10-12)5-8-19-15/h2-3,10,14,16-18H,4-9,11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-morpholin-2-ylpropan-1-amine is sourced from PubChem (CID 86678630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).