N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

C24H26Cl2N2 — CID 127045288

IUPACN-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2cccc(Cl)c2)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C24H26Cl2N2/c1-27(17-21-5-3-7-23(25)13-21)15-19-9-11-20(12-10-19)16-28(2)18-22-6-4-8-24(26)14-22/h3-14H,15-18H2,1-2H3
InChIKeyJMXHLCANHZILLW-UHFFFAOYSA-N
MW413.39 g/mol
LogP6.26
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (PubChem CID 127045288) has the molecular formula C24H26Cl2N2 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
PubChem CID127045288
Molecular FormulaC24H26Cl2N2
Molecular Weight413.39 g/mol
Exact Mass412.15
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCN(Cc1ccc(CN(C)Cc2cccc(Cl)c2)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C24H26Cl2N2/c1-27(17-21-5-3-7-23(25)13-21)15-19-9-11-20(12-10-19)16-28(2)18-22-6-4-8-24(26)14-22/h3-14H,15-18H2,1-2H3
InChIKeyJMXHLCANHZILLW-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-[(3-chlorophenyl)methyl]-1-[4-[[(3-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (CID 127045288) is N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is CN(Cc1ccc(CN(C)Cc2cccc(Cl)c2)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is JMXHLCANHZILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2/c1-27(17-21-5-3-7-23(25)13-21)15-19-9-11-20(12-10-19)16-28(2)18-22-6-4-8-24(26)14-22/h3-14H,15-18H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
N-[(3-chlorophenyl)methyl]-1-[4-[[(3-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-[(3-chlorophenyl)methyl]-1-[4-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 127045288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).