N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine

C15H13Cl3FN — CID 63501905

IUPACN-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)c1c(F)cccc1Cl
InChIInChI=1S/C15H13Cl3FN/c1-2-20-15(10-7-6-9(16)8-12(10)18)14-11(17)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeyVEAKNVIPAGIVMZ-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.48
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine

N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine (PubChem CID 63501905) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
PubChem CID63501905
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC NameN-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1Cl)c1c(F)cccc1Cl
InChIInChI=1S/C15H13Cl3FN/c1-2-20-15(10-7-6-9(16)8-12(10)18)14-11(17)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3
InChIKeyVEAKNVIPAGIVMZ-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.63
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855132
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(2-chloro-6-fluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796556
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 106647833
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 79747189
N-[(2-chloro-6-fluorophenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489376
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 114558976
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine (CID 63501905) is N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1Cl)c1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is VEAKNVIPAGIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/c1-2-20-15(10-7-6-9(16)8-12(10)18)14-11(17)4-3-5-13(14)19/h3-8,15,20H,2H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 332.63 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 63501905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).