[(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

C23H29NO2 — CID 175065005

About [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol

[(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (PubChem CID 175065005) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.

Molecular Properties

• Compound Name: [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
• PubChem CID: 175065005
• Molecular Formula: C23H29NO2
• Molecular Weight: 351.49 g/mol
• Exact Mass: 351.22
• IUPAC Name: [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
• SMILES: N[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(OCc2ccccc2)C3)C1
• InChI: InChI=1S/C23H29NO2/c24-23(16-25)11-10-21(14-23)19-6-7-20-13-22(9-8-18(20)12-19)26-15-17-4-2-1-3-5-17/h1-7,12,21-22,25H,8-11,13-16,24H2/t21-,22?,23+/m0/s1
• InChIKey: ZUBMBZPMGYSIEK-OCESARCHSA-N
• XLogP: 3.72
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?

The IUPAC name of [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol (CID 175065005) is [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol.

What is the SMILES notation for [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?

The canonical SMILES for [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is N[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(OCc2ccccc2)C3)C1.

What is the InChIKey of [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?

The InChIKey is ZUBMBZPMGYSIEK-OCESARCHSA-N. The full InChI is InChI=1S/C23H29NO2/c24-23(16-25)11-10-21(14-23)19-6-7-20-13-22(9-8-18(20)12-19)26-15-17-4-2-1-3-5-17/h1-7,12,21-22,25H,8-11,13-16,24H2/t21-,22?,23+/m0/s1.

What are the key properties of [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol?

[(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol has a molecular weight of 351.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S)-1-amino-3-(6-phenylmethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol is sourced from PubChem (CID 175065005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).