N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride

C22H32Cl10N2 — CID 90664483

IUPACN-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Clc1cccc(Cl)c1CNCC1CCCC(CNCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C22H26Cl4N2.6ClH/c23-19-6-2-7-20(24)17(19)13-27-11-15-4-1-5-16(10-15)12-28-14-18-21(25)8-3-9-22(18)26;;;;;;/h2-3,6-9,15-16,27-28H,1,4-5,10-14H2;6*1H
InChIKeyOPVMTQOVPAATLJ-UHFFFAOYSA-N
MW679.04 g/mol
LogP9.52
Rot. Bonds8

About N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride

N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride (PubChem CID 90664483) has the molecular formula C22H32Cl10N2 and a molecular weight of 679.04 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
PubChem CID90664483
Molecular FormulaC22H32Cl10N2
Molecular Weight679.04 g/mol
Exact Mass673.95
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.Cl.Clc1cccc(Cl)c1CNCC1CCCC(CNCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C22H26Cl4N2.6ClH/c23-19-6-2-7-20(24)17(19)13-27-11-15-4-1-5-16(10-15)12-28-14-18-21(25)8-3-9-22(18)26;;;;;;/h2-3,6-9,15-16,27-28H,1,4-5,10-14H2;6*1H
InChIKeyOPVMTQOVPAATLJ-UHFFFAOYSA-N
XLogP9.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.04
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride with MolForge

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231607
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-methylcyclohexyl)methanamine
CID 104589740
N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclobutylmethanamine
CID 63746985
N-[(2,4-dichlorophenyl)methyl]-1-[3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90665221
3-chloro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]phenol
CID 114318227
1-(3-chlorocyclohexyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 106122381
1-cyclohexyl-N-[(2,3,6-trichlorophenyl)methyl]methanamine
CID 43234592
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
3-chloro-2-[(thiolan-3-ylmethylamino)methyl]phenol
CID 107295498
N-[(2-chloro-6-fluorophenyl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 61011641
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride (CID 90664483) is N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride is Cl.Cl.Cl.Cl.Cl.Cl.Clc1cccc(Cl)c1CNCC1CCCC(CNCc2c(Cl)cccc2Cl)C1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride?
The InChIKey is OPVMTQOVPAATLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl4N2.6ClH/c23-19-6-2-7-20(24)17(19)13-27-11-15-4-1-5-16(10-15)12-28-14-18-21(25)8-3-9-22(18)26;;;;;;/h2-3,6-9,15-16,27-28H,1,4-5,10-14H2;6*1H.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride?
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride has a molecular weight of 679.04 g/mol, XLogP of 9.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride is sourced from PubChem (CID 90664483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).