5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol

C88H108N4O4 — CID 157218596

About 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol

5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol (PubChem CID 157218596) has the molecular formula C88H108N4O4 and a molecular weight of 1285.86 g/mol. Its IUPAC name is 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol.

Molecular Properties

• Compound Name: 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
• PubChem CID: 157218596
• Molecular Formula: C88H108N4O4
• Molecular Weight: 1285.86 g/mol
• Exact Mass: 1284.84
• IUPAC Name: 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol
• SMILES: C=CCN1CCc2cc(C)ccc2[C@H]1Cc1ccc(C)c(O)c1.Cc1ccc2c(c1)CCN(CC1CC1)[C@@H]2Cc1ccc(C)c(O)c1.Cc1ccc2c(c1)CCN(CC1CC1)[C@H]2Cc1ccc(C)c(O)c1.Cc1ccc2c(c1)CCN(CC1CCC1)[C@@H]2Cc1ccc(C)c(O)c1
• InChI: InChI=1S/C23H29NO.2C22H27NO.C21H25NO/c1-16-6-9-21-20(12-16)10-11-24(15-18-4-3-5-18)22(21)13-19-8-7-17(2)23(25)14-19;2*1-15-3-8-20-19(11-15)9-10-23(14-17-6-7-17)21(20)12-18-5-4-16(2)22(24)13-18;1-4-10-22-11-9-18-12-15(2)5-8-19(18)20(22)13-17-7-6-16(3)21(23)14-17/h6-9,12,14,18,22,25H,3-5,10-11,13,15H2,1-2H3;2*3-5,8,11,13,17,21,24H,6-7,9-10,12,14H2,1-2H3;4-8,12,14,20,23H,1,9-11,13H2,2-3H3/t22-;2*21-;20-/m1101/s1
• InChIKey: ASSFDWMATSUGTI-KJLFANBCSA-N
• XLogP: 18.41
• TPSA: 93.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1285.86
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol?

The IUPAC name of 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol (CID 157218596) is 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol.

What is the SMILES notation for 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol?

The canonical SMILES for 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol is C=CCN1CCc2cc(C)ccc2[C@H]1Cc1ccc(C)c(O)c1.Cc1ccc2c(c1)CCN(CC1CC1)[C@@H]2Cc1ccc(C)c(O)c1.Cc1ccc2c(c1)CCN(CC1CC1)[C@H]2Cc1ccc(C)c(O)c1.Cc1ccc2c(c1)CCN(CC1CCC1)[C@@H]2Cc1ccc(C)c(O)c1.

What is the InChIKey of 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol?

The InChIKey is ASSFDWMATSUGTI-KJLFANBCSA-N. The full InChI is InChI=1S/C23H29NO.2C22H27NO.C21H25NO/c1-16-6-9-21-20(12-16)10-11-24(15-18-4-3-5-18)22(21)13-19-8-7-17(2)23(25)14-19;2*1-15-3-8-20-19(11-15)9-10-23(14-17-6-7-17)21(20)12-18-5-4-16(2)22(24)13-18;1-4-10-22-11-9-18-12-15(2)5-8-19(18)20(22)13-17-7-6-16(3)21(23)14-17/h6-9,12,14,18,22,25H,3-5,10-11,13,15H2,1-2H3;2*3-5,8,11,13,17,21,24H,6-7,9-10,12,14H2,1-2H3;4-8,12,14,20,23H,1,9-11,13H2,2-3H3/t22-;2*21-;20-/m1101/s1.

What are the key properties of 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol?

5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol has a molecular weight of 1285.86 g/mol, XLogP of 18.41, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R)-2-(cyclobutylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1S)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;5-[[(1R)-2-(cyclopropylmethyl)-6-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methylphenol;2-methyl-5-[[(1R)-6-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol is sourced from PubChem (CID 157218596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).