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

C22H26Cl4N2 — CID 46231607

IUPACN-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
SMILESClc1cccc(Cl)c1CNCC1CCCC(CNCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C22H26Cl4N2/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
InChIKeyAUGSRYPBJRGKTN-UHFFFAOYSA-N
MW460.28 g/mol
LogP6.99
Rot. Bonds8

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

N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine (PubChem CID 46231607) has the molecular formula C22H26Cl4N2 and a molecular weight of 460.28 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
PubChem CID46231607
Molecular FormulaC22H26Cl4N2
Molecular Weight460.28 g/mol
Exact Mass458.09
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine
SMILESClc1cccc(Cl)c1CNCC1CCCC(CNCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C22H26Cl4N2/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
InChIKeyAUGSRYPBJRGKTN-UHFFFAOYSA-N
XLogP6.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.28
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90664483
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
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-[(2,4-dichlorophenyl)methyl]-1-[3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90665221
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
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270651

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine (CID 46231607) is N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine is 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?
The InChIKey is AUGSRYPBJRGKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl4N2/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.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine?
N-[(2,6-dichlorophenyl)methyl]-1-[3-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine has a molecular weight of 460.28 g/mol, XLogP of 6.99, 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 is sourced from PubChem (CID 46231607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).