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

C25H31NO2 — CID 175059919

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

[(1R,3S)-1-amino-3-[6-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (PubChem CID 175059919) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is [(1R,3S)-1-amino-3-[6-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [(1R,3S)-1-amino-3-[6-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• PubChem CID: 175059919
• Molecular Formula: C25H31NO2
• Molecular Weight: 377.53 g/mol
• Exact Mass: 377.24
• IUPAC Name: [(1R,3S)-1-amino-3-[6-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
• SMILES: COc1cccc(/C=C/C2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c1
• InChI: InChI=1S/C25H31NO2/c1-28-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-27/h2-6,9-10,14-15,19,23,27H,7-8,11-13,16-17,26H2,1H3/b6-5+/t19?,23-,25+/m0/s1
• InChIKey: ASTJLEKKIJDWSZ-YMXNWAOPSA-N
• XLogP: 4.47
• 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	377.53
LogP ≤ 5	4.47
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-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol?

The IUPAC name of [(1R,3S)-1-amino-3-[6-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol (CID 175059919) is [(1R,3S)-1-amino-3-[6-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol.

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

The canonical SMILES for [(1R,3S)-1-amino-3-[6-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is COc1cccc(/C=C/C2CCc3cc([C@H]4CC[C@](N)(CO)C4)ccc3C2)c1.

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

The InChIKey is ASTJLEKKIJDWSZ-YMXNWAOPSA-N. The full InChI is InChI=1S/C25H31NO2/c1-28-24-4-2-3-18(14-24)5-6-19-7-8-21-15-22(10-9-20(21)13-19)23-11-12-25(26,16-23)17-27/h2-6,9-10,14-15,19,23,27H,7-8,11-13,16-17,26H2,1H3/b6-5+/t19?,23-,25+/m0/s1.

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

[(1R,3S)-1-amino-3-[6-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol has a molecular weight of 377.53 g/mol, XLogP of 4.47, 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-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol is sourced from PubChem (CID 175059919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).