N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

C24H26Cl2N2 — CID 127045287

IUPACN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccc2Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C24H26Cl2N2/c1-27(17-21-7-3-5-9-23(21)25)15-19-11-13-20(14-12-19)16-28(2)18-22-8-4-6-10-24(22)26/h3-14H,15-18H2,1-2H3
InChIKeyLTXVTZRYDQHAPV-UHFFFAOYSA-N
MW413.39 g/mol
LogP6.26
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (PubChem CID 127045287) has the molecular formula C24H26Cl2N2 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
PubChem CID127045287
Molecular FormulaC24H26Cl2N2
Molecular Weight413.39 g/mol
Exact Mass412.15
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccc2Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C24H26Cl2N2/c1-27(17-21-7-3-5-9-23(21)25)15-19-11-13-20(14-12-19)16-28(2)18-22-8-4-6-10-24(22)26/h3-14H,15-18H2,1-2H3
InChIKeyLTXVTZRYDQHAPV-UHFFFAOYSA-N
XLogP6.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.39
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine 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,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)--hydrogen chloride (1/2)
CID 9704
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-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
N-benzyl-N-[[4-[[benzyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
CID 58177579
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
Clobenzorex hydrochloride
CID 71314913
1-(2-Chlorophenyl)-N,N-dimethylmethanamine
CID 818014
1-Benzyl-4-(2,4-dichlorobenzyl)piperazine
CID 409922
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (CID 127045287) is N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is CN(Cc1ccc(CN(C)Cc2ccccc2Cl)cc1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is LTXVTZRYDQHAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2/c1-27(17-21-7-3-5-9-23(21)25)15-19-11-13-20(14-12-19)16-28(2)18-22-8-4-6-10-24(22)26/h3-14H,15-18H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 413.39 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 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)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 127045287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).