(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine

C18H19NO2 — CID 58630691

IUPAC(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2occc12)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-19-12-10-16(14-6-3-2-4-7-14)21-18-9-5-8-17-15(18)11-13-20-17/h2-9,11,13,16,19H,10,12H2,1H3/t16-/m1/s1
InChIKeyNJAZKBQSGPEGLZ-MRXNPFEDSA-N
MW281.36 g/mol
LogP4.16
Rot. Bonds6

About (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine

(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine (PubChem CID 58630691) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
PubChem CID58630691
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCC[C@@H](Oc1cccc2occc12)c1ccccc1
InChIInChI=1S/C18H19NO2/c1-19-12-10-16(14-6-3-2-4-7-14)21-18-9-5-8-17-15(18)11-13-20-17/h2-9,11,13,16,19H,10,12H2,1H3/t16-/m1/s1
InChIKeyNJAZKBQSGPEGLZ-MRXNPFEDSA-N
XLogP4.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine (CID 58630691) is (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine is CNCC[C@@H](Oc1cccc2occc12)c1ccccc1.
What is the InChIKey of (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is NJAZKBQSGPEGLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-12-10-16(14-6-3-2-4-7-14)21-18-9-5-8-17-15(18)11-13-20-17/h2-9,11,13,16,19H,10,12H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine?
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58630691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).