(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol

C26H28ClNO3 — CID 159360187

About (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol

(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol (PubChem CID 159360187) has the molecular formula C26H28ClNO3 and a molecular weight of 437.97 g/mol. Its IUPAC name is (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol
• PubChem CID: 159360187
• Molecular Formula: C26H28ClNO3
• Molecular Weight: 437.97 g/mol
• Exact Mass: 437.18
• IUPAC Name: (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol
• SMILES: COc1cc(O[C@H]2CCc3c(-c4ccccc4)cccc32)c(Cl)cc1CN[C@H](C)CO
• InChI: InChI=1S/C26H28ClNO3/c1-17(16-29)28-15-19-13-23(27)26(14-25(19)30-2)31-24-12-11-21-20(9-6-10-22(21)24)18-7-4-3-5-8-18/h3-10,13-14,17,24,28-29H,11-12,15-16H2,1-2H3/t17-,24+/m1/s1
• InChIKey: NWKHJAVOJRZNQS-OSPHWJPCSA-N
• XLogP: 5.55
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.97
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol?

The IUPAC name of (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol (CID 159360187) is (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol.

What is the SMILES notation for (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol?

The canonical SMILES for (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol is COc1cc(O[C@H]2CCc3c(-c4ccccc4)cccc32)c(Cl)cc1CN[C@H](C)CO.

What is the InChIKey of (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol?

The InChIKey is NWKHJAVOJRZNQS-OSPHWJPCSA-N. The full InChI is InChI=1S/C26H28ClNO3/c1-17(16-29)28-15-19-13-23(27)26(14-25(19)30-2)31-24-12-11-21-20(9-6-10-22(21)24)18-7-4-3-5-8-18/h3-10,13-14,17,24,28-29H,11-12,15-16H2,1-2H3/t17-,24+/m1/s1.

What are the key properties of (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol?

(2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol has a molecular weight of 437.97 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-chloro-2-methoxy-4-[[(1S)-4-phenyl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 159360187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).