2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol

C24H28N2O3 — CID 139640035

About 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol

2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol (PubChem CID 139640035) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol
• PubChem CID: 139640035
• Molecular Formula: C24H28N2O3
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.21
• IUPAC Name: 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol
• SMILES: COc1cc2c(cc1OC)CN(Cc1ccc3cc(C(N)CO)ccc3c1)CC2
• InChI: InChI=1S/C24H28N2O3/c1-28-23-11-19-7-8-26(14-21(19)12-24(23)29-2)13-16-3-4-18-10-20(22(25)15-27)6-5-17(18)9-16/h3-6,9-12,22,27H,7-8,13-15,25H2,1-2H3
• InChIKey: IMIIDFQXJQXODO-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 67.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol?

The IUPAC name of 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol (CID 139640035) is 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol.

What is the SMILES notation for 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol?

The canonical SMILES for 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol is COc1cc2c(cc1OC)CN(Cc1ccc3cc(C(N)CO)ccc3c1)CC2.

What is the InChIKey of 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol?

The InChIKey is IMIIDFQXJQXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-23-11-19-7-8-26(14-21(19)12-24(23)29-2)13-16-3-4-18-10-20(22(25)15-27)6-5-17(18)9-16/h3-6,9-12,22,27H,7-8,13-15,25H2,1-2H3.

What are the key properties of 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol?

2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol has a molecular weight of 392.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol is sourced from PubChem (CID 139640035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).