N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine

C81H74Cl6N10O5 — CID 158044046

IUPACN'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(CCN(C)CCc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.COc1ccc2nc3cc(Cl)ccc3c(CCNCCc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.COc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1.NCNCN
InChIInChI=1S/C33H29Cl2N3O2.C32H27Cl2N3O2.C14H9Cl2NO.C2H9N3/c1-38(14-12-24-26-8-4-20(34)16-32(26)36-30-10-6-22(39-2)18-28(24)30)15-13-25-27-9-5-21(35)17-33(27)37-31-11-7-23(40-3)19-29(25)31;1-38-21-5-9-29-27(17-21)23(25-7-3-19(33)15-31(25)36-29)11-13-35-14-12-24-26-8-4-20(34)16-32(26)37-30-10-6-22(39-2)18-28(24)30;1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12;3-1-5-2-4/h4-11,16-19H,12-15H2,1-3H3;3-10,15-18,35H,11-14H2,1-2H3;2-7H,1H3;5H,1-4H2
InChIKeyFIRPSLYPRKRWGK-UHFFFAOYSA-N
MW1480.27 g/mol
LogP19.03
Rot. Bonds19

About N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine

N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine (PubChem CID 158044046) has the molecular formula C81H74Cl6N10O5 and a molecular weight of 1480.27 g/mol. Its IUPAC name is N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine.

Molecular Properties

Compound NameN'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine
PubChem CID158044046
Molecular FormulaC81H74Cl6N10O5
Molecular Weight1480.27 g/mol
Exact Mass1476.40
IUPAC NameN'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(CCN(C)CCc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.COc1ccc2nc3cc(Cl)ccc3c(CCNCCc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.COc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1.NCNCN
InChIInChI=1S/C33H29Cl2N3O2.C32H27Cl2N3O2.C14H9Cl2NO.C2H9N3/c1-38(14-12-24-26-8-4-20(34)16-32(26)36-30-10-6-22(39-2)18-28(24)30)15-13-25-27-9-5-21(35)17-33(27)37-31-11-7-23(40-3)19-29(25)31;1-38-21-5-9-29-27(17-21)23(25-7-3-19(33)15-31(25)36-29)11-13-35-14-12-24-26-8-4-20(34)16-32(26)37-30-10-6-22(39-2)18-28(24)30;1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12;3-1-5-2-4/h4-11,16-19H,12-15H2,1-3H3;3-10,15-18,35H,11-14H2,1-2H3;2-7H,1H3;5H,1-4H2
InChIKeyFIRPSLYPRKRWGK-UHFFFAOYSA-N
XLogP19.03
TPSA189.94 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001480.27
LogP ≤ 519.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine with MolForge

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Related Compounds

N-(6-chloro-2-methoxyacridin-9-yl)-N'-[11-[(6-chloro-2-methoxyacridin-9-yl)amino]undecyl]-N'-methylpentadecane-1,15-diamine
CID 154727097
6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
CID 141333744
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
6-chloro-2-methoxy-N,N-dimethylacridin-9-amine
CID 71406674
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-N-methylbutane-1,4-diamine
CID 71471687
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
2-[2-[2-(2-aminoethoxy)ethyl-methylamino]ethoxy]ethanamine;4-bromo-7-chloroquinoline;6-chloro-N-[2-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethyl-methylamino]ethoxy]ethyl]-2-methylacridin-9-amine;7-chloro-N-[2-[2-[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl-methylamino]ethoxy]ethyl]quinolin-4-amine;6,9-dichloro-2-methylacridine;palladium
CID 167653970
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218

Frequently Asked Questions

What is the IUPAC name of N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine?
The IUPAC name of N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine (CID 158044046) is N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine.
What is the SMILES notation for N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine?
The canonical SMILES for N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine is COc1ccc2nc3cc(Cl)ccc3c(CCN(C)CCc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.COc1ccc2nc3cc(Cl)ccc3c(CCNCCc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.COc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1.NCNCN.
What is the InChIKey of N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine?
The InChIKey is FIRPSLYPRKRWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N3O2.C32H27Cl2N3O2.C14H9Cl2NO.C2H9N3/c1-38(14-12-24-26-8-4-20(34)16-32(26)36-30-10-6-22(39-2)18-28(24)30)15-13-25-27-9-5-21(35)17-33(27)37-31-11-7-23(40-3)19-29(25)31;1-38-21-5-9-29-27(17-21)23(25-7-3-19(33)15-31(25)36-29)11-13-35-14-12-24-26-8-4-20(34)16-32(26)37-30-10-6-22(39-2)18-28(24)30;1-18-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17-12;3-1-5-2-4/h4-11,16-19H,12-15H2,1-3H3;3-10,15-18,35H,11-14H2,1-2H3;2-7H,1H3;5H,1-4H2.
What are the key properties of N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine?
N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine has a molecular weight of 1480.27 g/mol, XLogP of 19.03, 19 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(aminomethyl)methanediamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]ethanamine;2-(6-chloro-2-methoxyacridin-9-yl)-N-[2-(6-chloro-2-methoxyacridin-9-yl)ethyl]-N-methylethanamine;6,9-dichloro-2-methoxyacridine is sourced from PubChem (CID 158044046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).