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

C24H31NO2 — CID 162665086

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

[(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 162665086) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• PubChem CID: 162665086
• Molecular Formula: C24H31NO2
• Molecular Weight: 365.52 g/mol
• Exact Mass: 365.24
• IUPAC Name: [(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• SMILES: COc1ccc(CC2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)cc1
• InChI: InChI=1S/C24H31NO2/c1-27-23-8-3-17(4-9-23)12-18-2-5-20-14-21(7-6-19(20)13-18)22-10-11-24(25,15-22)16-26/h3-4,6-9,14,18,22,26H,2,5,10-13,15-16,25H2,1H3/t18?,22-,24+/m0/s1
• InChIKey: RJQNIMGFQVFICC-MKXFTGRQSA-N
• XLogP: 4.00
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.52
LogP ≤ 5	4.00
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-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?

The IUPAC name of [(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 162665086) is [(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

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

The canonical SMILES for [(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is COc1ccc(CC2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)cc1.

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

The InChIKey is RJQNIMGFQVFICC-MKXFTGRQSA-N. The full InChI is InChI=1S/C24H31NO2/c1-27-23-8-3-17(4-9-23)12-18-2-5-20-14-21(7-6-19(20)13-18)22-10-11-24(25,15-22)16-26/h3-4,6-9,14,18,22,26H,2,5,10-13,15-16,25H2,1H3/t18?,22-,24+/m0/s1.

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

[(1R,3S)-1-amino-3-[6-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 365.52 g/mol, XLogP of 4.00, 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-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 162665086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).