(2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine

C15H21NO3 — CID 16747713

IUPAC(2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine
SMILESCOCc1c2c(c(C[C@@H](C)N)c3c1OCC3)OCC2
InChIInChI=1S/C15H21NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h9H,3-8,16H2,1-2H3/t9-/m1/s1
InChIKeyVDHZRXVDGRXINI-SECBINFHSA-N
MW263.34 g/mol
LogP1.59
Rot. Bonds4

About (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine

(2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine (PubChem CID 16747713) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine
PubChem CID16747713
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine
SMILESCOCc1c2c(c(C[C@@H](C)N)c3c1OCC3)OCC2
InChIInChI=1S/C15H21NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h9H,3-8,16H2,1-2H3/t9-/m1/s1
InChIKeyVDHZRXVDGRXINI-SECBINFHSA-N
XLogP1.59
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine?
The IUPAC name of (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine (CID 16747713) is (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine.
What is the SMILES notation for (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine?
The canonical SMILES for (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine is COCc1c2c(c(C[C@@H](C)N)c3c1OCC3)OCC2.
What is the InChIKey of (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine?
The InChIKey is VDHZRXVDGRXINI-SECBINFHSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h9H,3-8,16H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine?
(2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine has a molecular weight of 263.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(methoxymethyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl]propan-2-amine is sourced from PubChem (CID 16747713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).