N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine

C22H28Cl2N2 — CID 9705

IUPACN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
SMILESClc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1
InChIInChI=1S/C22H28Cl2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2
InChIKeyRZRPZWGIOOZIBE-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.68
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine

N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine (PubChem CID 9705) has the molecular formula C22H28Cl2N2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
PubChem CID9705
Molecular FormulaC22H28Cl2N2
Molecular Weight391.39 g/mol
Exact Mass390.16
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
SMILESClc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1
InChIInChI=1S/C22H28Cl2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2
InChIKeyRZRPZWGIOOZIBE-UHFFFAOYSA-N
XLogP5.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)--hydrogen chloride (1/2)
CID 9704
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
1-((2-Chlorophenyl)methyl)piperazine
CID 580769
Benzyl-(4-chloro-benzyl)-amine
CID 816344
1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 784405
N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine
CID 4356156
{3-[Benzyl(methyl)amino]propyl}[(4-chlorophenyl)methyl]amine
CID 29048070
1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine (CID 9705) is N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine is Clc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine?
The InChIKey is RZRPZWGIOOZIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine?
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine has a molecular weight of 391.39 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine is sourced from PubChem (CID 9705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).