N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine

C14H12Cl3N — CID 105349880

IUPACN-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
SMILESCNCc1ccccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N/c1-18-8-9-4-2-3-5-11(9)14-12(16)6-10(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyCFQXUGKJCMCFIV-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.03
Rot. Bonds3

About N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine

N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine (PubChem CID 105349880) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
PubChem CID105349880
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC NameN-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine
SMILESCNCc1ccccc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N/c1-18-8-9-4-2-3-5-11(9)14-12(16)6-10(15)7-13(14)17/h2-7,18H,8H2,1H3
InChIKeyCFQXUGKJCMCFIV-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
[2-[2-(methylaminomethyl)phenyl]phenyl]methanol
CID 70630718
1-[5-chloro-2-(2,3-dichlorophenyl)phenyl]-N-methylmethanamine
CID 66158721
1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
CID 79743234
1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911260
1-[2-(2,3-dimethylphenyl)phenyl]-N-methylmethanamine
CID 62549368
1-[4-chloro-2-(3-fluoro-2-methylphenyl)phenyl]-N-methylmethanamine
CID 115502878
1-[5-chloro-2-(2,3,5,6-tetramethylphenyl)phenyl]-N-methylmethanamine
CID 66157503
N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine
CID 62489827
1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 65318694
1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine
CID 115824634

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine (CID 105349880) is N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine is CNCc1ccccc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine?
The InChIKey is CFQXUGKJCMCFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-18-8-9-4-2-3-5-11(9)14-12(16)6-10(15)7-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine?
N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine has a molecular weight of 300.62 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,4,6-trichlorophenyl)phenyl]methanamine is sourced from PubChem (CID 105349880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).