3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride

C20H24Cl2N2O2 — CID 173089726

IUPAC3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride
SMILESCOc1ccc2c(OCCCN)nc(C)c(-c3ccccc3)c2c1.Cl.Cl
InChIInChI=1S/C20H22N2O2.2ClH/c1-14-19(15-7-4-3-5-8-15)18-13-16(23-2)9-10-17(18)20(22-14)24-12-6-11-21;;/h3-5,7-10,13H,6,11-12,21H2,1-2H3;2*1H
InChIKeyQDQWMUWNNVTFKG-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.79
Rot. Bonds6

About 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride

3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride (PubChem CID 173089726) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride
PubChem CID173089726
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride
SMILESCOc1ccc2c(OCCCN)nc(C)c(-c3ccccc3)c2c1.Cl.Cl
InChIInChI=1S/C20H22N2O2.2ClH/c1-14-19(15-7-4-3-5-8-15)18-13-16(23-2)9-10-17(18)20(22-14)24-12-6-11-21;;/h3-5,7-10,13H,6,11-12,21H2,1-2H3;2*1H
InChIKeyQDQWMUWNNVTFKG-UHFFFAOYSA-N
XLogP4.79
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropyl]isoindole-1,3-dione
CID 68518411
2-(3-aminopropyl)-6-methoxy-3-methyl-4-phenylisoquinolin-1-one;hydrochloride
CID 173089205
3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
CID 53475922
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine
CID 11246986
9-(2-methoxyanthracen-9-yl)oxynonan-1-amine
CID 21280841
7-methoxy-1-phenylisoquinoline
CID 86087026
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
2-iodo-6-methoxy-3-methyl-1-phenylnaphthalene
CID 11603199
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
4-ethyl-6-methoxy-2,3-diphenylquinoline
CID 22395291
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
CID 170456496

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride?
The IUPAC name of 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride (CID 173089726) is 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride?
The canonical SMILES for 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride is COc1ccc2c(OCCCN)nc(C)c(-c3ccccc3)c2c1.Cl.Cl.
What is the InChIKey of 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride?
The InChIKey is QDQWMUWNNVTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.2ClH/c1-14-19(15-7-4-3-5-8-15)18-13-16(23-2)9-10-17(18)20(22-14)24-12-6-11-21;;/h3-5,7-10,13H,6,11-12,21H2,1-2H3;2*1H.
What are the key properties of 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride?
3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride has a molecular weight of 395.33 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-methyl-4-phenylisoquinolin-1-yl)oxypropan-1-amine;dihydrochloride is sourced from PubChem (CID 173089726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).