2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol

C16H26N2O3 — CID 64791802

IUPAC2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol
SMILESCOc1cc2c(cc1OC)CN(CCC(C)(N)CO)CC2
InChIInChI=1S/C16H26N2O3/c1-16(17,11-19)5-7-18-6-4-12-8-14(20-2)15(21-3)9-13(12)10-18/h8-9,19H,4-7,10-11,17H2,1-3H3
InChIKeyLFBJJOVHXKAESF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.16
Rot. Bonds6

About 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol

2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol (PubChem CID 64791802) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol
PubChem CID64791802
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol
SMILESCOc1cc2c(cc1OC)CN(CCC(C)(N)CO)CC2
InChIInChI=1S/C16H26N2O3/c1-16(17,11-19)5-7-18-6-4-12-8-14(20-2)15(21-3)9-13(12)10-18/h8-9,19H,4-7,10-11,17H2,1-3H3
InChIKeyLFBJJOVHXKAESF-UHFFFAOYSA-N
XLogP1.16
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpentan-2-amine
CID 60853318
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-2-amine
CID 79811611
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-pyridin-3-ylpentan-3-amine
CID 56999917
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine;dihydrochloride
CID 23111955
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
6,7-dimethoxy-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-3,4-dihydro-1H-isoquinoline
CID 162476741
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 54942886
1-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 64819613
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
1-tert-butyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]guanidine
CID 111088841
2-(7-chloro-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279846
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 63028126

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol (CID 64791802) is 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol is COc1cc2c(cc1OC)CN(CCC(C)(N)CO)CC2.
What is the InChIKey of 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol?
The InChIKey is LFBJJOVHXKAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(17,11-19)5-7-18-6-4-12-8-14(20-2)15(21-3)9-13(12)10-18/h8-9,19H,4-7,10-11,17H2,1-3H3.
What are the key properties of 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol?
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 64791802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).