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

C22H30Cl4N2 — CID 9704

IUPACN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
SMILESCl.Cl.Clc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1
InChIInChI=1S/C22H28Cl2N2.2ClH/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;2*1H
InChIKeyNRVIEWRSGDDWHP-UHFFFAOYSA-N
MW464.31 g/mol
LogP6.52
Rot. Bonds8

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

N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride (PubChem CID 9704) has the molecular formula C22H30Cl4N2 and a molecular weight of 464.31 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
PubChem CID9704
Molecular FormulaC22H30Cl4N2
Molecular Weight464.31 g/mol
Exact Mass462.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
SMILESCl.Cl.Clc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1
InChIInChI=1S/C22H28Cl2N2.2ClH/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;2*1H
InChIKeyNRVIEWRSGDDWHP-UHFFFAOYSA-N
XLogP6.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.31
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
Clobenzorex
CID 735998
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705
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
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 29048070
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;tetrahydrochloride
CID 90664498
N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 127045288

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride (CID 9704) is N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride is Cl.Cl.Clc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride?
The InChIKey is NRVIEWRSGDDWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N2.2ClH/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;2*1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride?
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride has a molecular weight of 464.31 g/mol, XLogP of 6.52, 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;dihydrochloride is sourced from PubChem (CID 9704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).