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

C24H31NO — CID 118899941

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

[(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 118899941) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• PubChem CID: 118899941
• Molecular Formula: C24H31NO
• Molecular Weight: 349.52 g/mol
• Exact Mass: 349.24
• IUPAC Name: [(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• SMILES: N[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(CCc2ccccc2)C3)C1
• InChI: InChI=1S/C24H31NO/c25-24(17-26)13-12-23(16-24)22-11-10-20-14-19(8-9-21(20)15-22)7-6-18-4-2-1-3-5-18/h1-5,10-11,15,19,23,26H,6-9,12-14,16-17,25H2/t19?,23-,24+/m0/s1
• InChIKey: VTZIDTVLTVDIAA-ZJWHSJSFSA-N
• XLogP: 4.38
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.52
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of [(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 118899941) is [(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

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

The canonical SMILES for [(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is N[C@]1(CO)CC[C@H](c2ccc3c(c2)CCC(CCc2ccccc2)C3)C1.

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

The InChIKey is VTZIDTVLTVDIAA-ZJWHSJSFSA-N. The full InChI is InChI=1S/C24H31NO/c25-24(17-26)13-12-23(16-24)22-11-10-20-14-19(8-9-21(20)15-22)7-6-18-4-2-1-3-5-18/h1-5,10-11,15,19,23,26H,6-9,12-14,16-17,25H2/t19?,23-,24+/m0/s1.

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

[(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 349.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S)-1-amino-3-[6-(2-phenylethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 118899941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).