trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine

C25H33NO — CID 118899913

About trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine

trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine (PubChem CID 118899913) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine.

Molecular Properties

• Compound Name: trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine
• PubChem CID: 118899913
• Molecular Formula: C25H33NO
• Molecular Weight: 363.55 g/mol
• Exact Mass: 363.26
• IUPAC Name: trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine
• SMILES: CC[C@@]1(N)CC[C@H](c2ccc3c(c2)CC[C@@H](OCc2cccc(C)c2)C3)C1
• InChI: InChI=1S/C25H33NO/c1-3-25(26)12-11-23(16-25)21-7-8-22-15-24(10-9-20(22)14-21)27-17-19-6-4-5-18(2)13-19/h4-8,13-14,23-24H,3,9-12,15-17,26H2,1-2H3/t23-,24+,25+/m0/s1
• InChIKey: FNHZHOOHQCVYCA-ISJGIBHGSA-N
• XLogP: 5.44
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.55
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine?

The IUPAC name of trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine (CID 118899913) is trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine.

What is the SMILES notation for trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine?

The canonical SMILES for trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine is CC[C@@]1(N)CC[C@H](c2ccc3c(c2)CC[C@@H](OCc2cccc(C)c2)C3)C1.

What is the InChIKey of trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine?

The InChIKey is FNHZHOOHQCVYCA-ISJGIBHGSA-N. The full InChI is InChI=1S/C25H33NO/c1-3-25(26)12-11-23(16-25)21-7-8-22-15-24(10-9-20(22)14-21)27-17-19-6-4-5-18(2)13-19/h4-8,13-14,23-24H,3,9-12,15-17,26H2,1-2H3/t23-,24+,25+/m0/s1.

What are the key properties of trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine?

trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine has a molecular weight of 363.55 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3S)-1-ethyl-3-[(6R)-6-[(3-methylphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 118899913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).