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

C27H34N2O3 — CID 139640062

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

2-amino-2-[6-[(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol (PubChem CID 139640062) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-amino-2-[6-[(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-amino-2-[6-[(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol
• PubChem CID: 139640062
• Molecular Formula: C27H34N2O3
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.26
• IUPAC Name: 2-amino-2-[6-[(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol
• SMILES: COc1cc2c(cc1OC)C(C(C)C)N(Cc1ccc3cc(C(N)CO)ccc3c1)CC2
• InChI: InChI=1S/C27H34N2O3/c1-17(2)27-23-14-26(32-4)25(31-3)13-21(23)9-10-29(27)15-18-5-6-20-12-22(24(28)16-30)8-7-19(20)11-18/h5-8,11-14,17,24,27,30H,9-10,15-16,28H2,1-4H3
• InChIKey: LRQWBKVZNDETNA-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 67.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	4.60
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-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol?

The IUPAC name of 2-amino-2-[6-[(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol (CID 139640062) is 2-amino-2-[6-[(6,7-dimethoxy-1-propan-2-yl-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-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol?

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

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

The InChIKey is LRQWBKVZNDETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-17(2)27-23-14-26(32-4)25(31-3)13-21(23)9-10-29(27)15-18-5-6-20-12-22(24(28)16-30)8-7-19(20)11-18/h5-8,11-14,17,24,27,30H,9-10,15-16,28H2,1-4H3.

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

2-amino-2-[6-[(6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol has a molecular weight of 434.58 g/mol, XLogP of 4.60, 7 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-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]naphthalen-2-yl]ethanol is sourced from PubChem (CID 139640062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).