[(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol

C25H33NO2 — CID 162670374

About [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol

[(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 162670374) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• PubChem CID: 162670374
• Molecular Formula: C25H33NO2
• Molecular Weight: 379.54 g/mol
• Exact Mass: 379.25
• IUPAC Name: [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• SMILES: COc1ccc(CC[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)cc1
• InChI: InChI=1S/C25H33NO2/c1-28-24-10-5-18(6-11-24)2-3-19-4-7-21-15-22(9-8-20(21)14-19)23-12-13-25(26,16-23)17-27/h5-6,8-11,15,19,23,27H,2-4,7,12-14,16-17,26H2,1H3/t19-,23+,25-/m1/s1
• InChIKey: SXCAFHLXFJIVMW-HFRGRHLUSA-N
• XLogP: 4.39
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.54
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?

The IUPAC name of [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 162670374) is [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

What is the SMILES notation for [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?

The canonical SMILES for [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is COc1ccc(CC[C@@H]2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)cc1.

What is the InChIKey of [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?

The InChIKey is SXCAFHLXFJIVMW-HFRGRHLUSA-N. The full InChI is InChI=1S/C25H33NO2/c1-28-24-10-5-18(6-11-24)2-3-19-4-7-21-15-22(9-8-20(21)14-19)23-12-13-25(26,16-23)17-27/h5-6,8-11,15,19,23,27H,2-4,7,12-14,16-17,26H2,1H3/t19-,23+,25-/m1/s1.

What are the key properties of [(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?

[(1R,3S)-1-amino-3-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 379.54 g/mol, XLogP of 4.39, 6 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-[(6R)-6-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 162670374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).