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

C25H33NO2 — CID 118877566

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

[(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 118877566) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• PubChem CID: 118877566
• Molecular Formula: C25H33NO2
• Molecular Weight: 379.54 g/mol
• Exact Mass: 379.25
• IUPAC Name: [(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• SMILES: COc1ccc(CC2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c(C)c1
• InChI: InChI=1S/C25H33NO2/c1-17-11-24(28-2)8-7-19(17)12-18-3-4-21-14-22(6-5-20(21)13-18)23-9-10-25(26,15-23)16-27/h5-8,11,14,18,23,27H,3-4,9-10,12-13,15-16,26H2,1-2H3/t18?,23-,25+/m0/s1
• InChIKey: AVVWTWYMAOCZOL-OYHZEJGOSA-N
• XLogP: 4.31
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.54
LogP ≤ 5	4.31
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-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?

The IUPAC name of [(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 118877566) is [(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

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

The canonical SMILES for [(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is COc1ccc(CC2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c(C)c1.

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

The InChIKey is AVVWTWYMAOCZOL-OYHZEJGOSA-N. The full InChI is InChI=1S/C25H33NO2/c1-17-11-24(28-2)8-7-19(17)12-18-3-4-21-14-22(6-5-20(21)13-18)23-9-10-25(26,15-23)16-27/h5-8,11,14,18,23,27H,3-4,9-10,12-13,15-16,26H2,1-2H3/t18?,23-,25+/m0/s1.

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

[(1R,3S)-1-amino-3-[6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 379.54 g/mol, XLogP of 4.31, 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-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 118877566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).