(2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

C17H23N3O2 — CID 38055468

About (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine

(2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 38055468) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

• Compound Name: (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
• PubChem CID: 38055468
• Molecular Formula: C17H23N3O2
• Molecular Weight: 301.39 g/mol
• Exact Mass: 301.18
• IUPAC Name: (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
• SMILES: COc1cc2c(cc1CN[C@H](C)Cn1cccn1)O[C@@H](C)C2
• InChI: InChI=1S/C17H23N3O2/c1-12(11-20-6-4-5-19-20)18-10-15-9-17-14(7-13(2)22-17)8-16(15)21-3/h4-6,8-9,12-13,18H,7,10-11H2,1-3H3/t12-,13+/m1/s1
• InChIKey: VOIANIOZHFSWHI-OLZOCXBDSA-N
• XLogP: 2.39
• TPSA: 48.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.39
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?

The IUPAC name of (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 38055468) is (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine.

What is the SMILES notation for (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?

The canonical SMILES for (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is COc1cc2c(cc1CN[C@H](C)Cn1cccn1)O[C@@H](C)C2.

What is the InChIKey of (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?

The InChIKey is VOIANIOZHFSWHI-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(11-20-6-4-5-19-20)18-10-15-9-17-14(7-13(2)22-17)8-16(15)21-3/h4-6,8-9,12-13,18H,7,10-11H2,1-3H3/t12-,13+/m1/s1.

What are the key properties of (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine?

(2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 301.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 38055468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).