(2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine

C19H23NO3 — CID 99792018

IUPAC(2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine
SMILESc1coc([C@@H]2CN(CCCc3ccc4c(c3)CCO4)CCO2)c1
InChIInChI=1S/C19H23NO3/c1(3-15-5-6-17-16(13-15)7-11-22-17)8-20-9-12-23-19(14-20)18-4-2-10-21-18/h2,4-6,10,13,19H,1,3,7-9,11-12,14H2/t19-/m0/s1
InChIKeyKRPGSLGGWHAFFR-IBGZPJMESA-N
MW313.40 g/mol
LogP3.22
Rot. Bonds5

About (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine

(2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine (PubChem CID 99792018) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine
PubChem CID99792018
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine
SMILESc1coc([C@@H]2CN(CCCc3ccc4c(c3)CCO4)CCO2)c1
InChIInChI=1S/C19H23NO3/c1(3-15-5-6-17-16(13-15)7-11-22-17)8-20-9-12-23-19(14-20)18-4-2-10-21-18/h2,4-6,10,13,19H,1,3,7-9,11-12,14H2/t19-/m0/s1
InChIKeyKRPGSLGGWHAFFR-IBGZPJMESA-N
XLogP3.22
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine?
The IUPAC name of (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine (CID 99792018) is (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine.
What is the SMILES notation for (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine?
The canonical SMILES for (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine is c1coc([C@@H]2CN(CCCc3ccc4c(c3)CCO4)CCO2)c1.
What is the InChIKey of (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine?
The InChIKey is KRPGSLGGWHAFFR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23NO3/c1(3-15-5-6-17-16(13-15)7-11-22-17)8-20-9-12-23-19(14-20)18-4-2-10-21-18/h2,4-6,10,13,19H,1,3,7-9,11-12,14H2/t19-/m0/s1.
What are the key properties of (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine?
(2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine has a molecular weight of 313.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-(furan-2-yl)morpholine is sourced from PubChem (CID 99792018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).