N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine

C15H13Cl3FN — CID 105350026

IUPACN-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2c(Cl)cc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C15H13Cl3FN/c1-2-20-8-10-5-9(3-4-14(10)19)15-12(17)6-11(16)7-13(15)18/h3-7,20H,2,8H2,1H3
InChIKeySJQRFYNLQNMADB-UHFFFAOYSA-N
MW332.63 g/mol
LogP5.56
Rot. Bonds4

About N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine

N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine (PubChem CID 105350026) has the molecular formula C15H13Cl3FN and a molecular weight of 332.63 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
PubChem CID105350026
Molecular FormulaC15H13Cl3FN
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC NameN-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2c(Cl)cc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C15H13Cl3FN/c1-2-20-8-10-5-9(3-4-14(10)19)15-12(17)6-11(16)7-13(15)18/h3-7,20H,2,8H2,1H3
InChIKeySJQRFYNLQNMADB-UHFFFAOYSA-N
XLogP5.56
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 ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine 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-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[2-fluoro-5-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033146
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350055
N-[[5-(3,5-dimethylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 63424375
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
N-[[2-chloro-4-(2,4,6-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350036
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine (CID 105350026) is N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine is CCNCc1cc(-c2c(Cl)cc(Cl)cc2Cl)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine?
The InChIKey is SJQRFYNLQNMADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FN/c1-2-20-8-10-5-9(3-4-14(10)19)15-12(17)6-11(16)7-13(15)18/h3-7,20H,2,8H2,1H3.
What are the key properties of N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine?
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine has a molecular weight of 332.63 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 105350026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).