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

C24H33NO2 — CID 138468005

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

(4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol (PubChem CID 138468005) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol.

Molecular Properties

• Compound Name: (4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol
• PubChem CID: 138468005
• Molecular Formula: C24H33NO2
• Molecular Weight: 367.53 g/mol
• Exact Mass: 367.25
• IUPAC Name: (4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol
• SMILES: COc1ccc(C[C@@H]2CCc3cc(C(CN)CCCO)ccc3C2)c(C)c1
• InChI: InChI=1S/C24H33NO2/c1-17-12-24(27-2)10-9-19(17)13-18-5-6-21-15-22(8-7-20(21)14-18)23(16-25)4-3-11-26/h7-10,12,15,18,23,26H,3-6,11,13-14,16,25H2,1-2H3/t18-,23?/m0/s1
• InChIKey: FVUKYEWAEWHVFM-XNUZUHMRSA-N
• XLogP: 4.17
• TPSA: 55.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.53
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol?

The IUPAC name of (4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol (CID 138468005) is (4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol.

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

The canonical SMILES for (4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol is COc1ccc(C[C@@H]2CCc3cc(C(CN)CCCO)ccc3C2)c(C)c1.

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

The InChIKey is FVUKYEWAEWHVFM-XNUZUHMRSA-N. The full InChI is InChI=1S/C24H33NO2/c1-17-12-24(27-2)10-9-19(17)13-18-5-6-21-15-22(8-7-20(21)14-18)23(16-25)4-3-11-26/h7-10,12,15,18,23,26H,3-6,11,13-14,16,25H2,1-2H3/t18-,23?/m0/s1.

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

(4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol has a molecular weight of 367.53 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-amino-4-[(6S)-6-[(4-methoxy-2-methylphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol is sourced from PubChem (CID 138468005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).