3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride

C24H34Cl2N2O4 — CID 10390646

IUPAC3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
SMILESCOc1cc2c(CCCN)c3cc(OC)c(OC)cc3c(CCCN)c2cc1OC.Cl.Cl
InChIInChI=1S/C24H32N2O4.2ClH/c1-27-21-11-17-15(7-5-9-25)19-13-23(29-3)24(30-4)14-20(19)16(8-6-10-26)18(17)12-22(21)28-2;;/h11-14H,5-10,25-26H2,1-4H3;2*1H
InChIKeyDWRXABCQFURSES-UHFFFAOYSA-N
MW485.45 g/mol
LogP4.65
Rot. Bonds10

About 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride

3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride (PubChem CID 10390646) has the molecular formula C24H34Cl2N2O4 and a molecular weight of 485.45 g/mol. Its IUPAC name is 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
PubChem CID10390646
Molecular FormulaC24H34Cl2N2O4
Molecular Weight485.45 g/mol
Exact Mass484.19
IUPAC Name3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
SMILESCOc1cc2c(CCCN)c3cc(OC)c(OC)cc3c(CCCN)c2cc1OC.Cl.Cl
InChIInChI=1S/C24H32N2O4.2ClH/c1-27-21-11-17-15(7-5-9-25)19-13-23(29-3)24(30-4)14-20(19)16(8-6-10-26)18(17)12-22(21)28-2;;/h11-14H,5-10,25-26H2,1-4H3;2*1H
InChIKeyDWRXABCQFURSES-UHFFFAOYSA-N
XLogP4.65
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-amine
CID 117359859
3-(6,7-dimethoxy-2-methylquinolin-4-yl)propan-1-amine
CID 82576667
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)butan-1-amine
CID 117486751
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322
3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine
CID 117398523
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684

Frequently Asked Questions

What is the IUPAC name of 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride (CID 10390646) is 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride is COc1cc2c(CCCN)c3cc(OC)c(OC)cc3c(CCCN)c2cc1OC.Cl.Cl.
What is the InChIKey of 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride?
The InChIKey is DWRXABCQFURSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4.2ClH/c1-27-21-11-17-15(7-5-9-25)19-13-23(29-3)24(30-4)14-20(19)16(8-6-10-26)18(17)12-22(21)28-2;;/h11-14H,5-10,25-26H2,1-4H3;2*1H.
What are the key properties of 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride?
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride has a molecular weight of 485.45 g/mol, XLogP of 4.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 10390646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).