(2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol

C20H28N2O3 — CID 7249183

About (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol

(2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol (PubChem CID 7249183) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
• PubChem CID: 7249183
• Molecular Formula: C20H28N2O3
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.21
• IUPAC Name: (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol
• SMILES: COC[C@H](O)CN(Cc1cccn1Cc1cccc(OC)c1)C1CC1
• InChI: InChI=1S/C20H28N2O3/c1-24-15-19(23)14-22(17-8-9-17)13-18-6-4-10-21(18)12-16-5-3-7-20(11-16)25-2/h3-7,10-11,17,19,23H,8-9,12-15H2,1-2H3/t19-/m1/s1
• InChIKey: GYYCAQMJUYITNI-LJQANCHMSA-N
• XLogP: 2.52
• TPSA: 46.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol?

The IUPAC name of (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol (CID 7249183) is (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol.

What is the SMILES notation for (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol?

The canonical SMILES for (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol is COC[C@H](O)CN(Cc1cccn1Cc1cccc(OC)c1)C1CC1.

What is the InChIKey of (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol?

The InChIKey is GYYCAQMJUYITNI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-15-19(23)14-22(17-8-9-17)13-18-6-4-10-21(18)12-16-5-3-7-20(11-16)25-2/h3-7,10-11,17,19,23H,8-9,12-15H2,1-2H3/t19-/m1/s1.

What are the key properties of (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol?

(2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol has a molecular weight of 344.46 g/mol, XLogP of 2.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 7249183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).