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

C16H13Cl3FN — CID 105350055

IUPACN-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1CNC1CC1
InChIInChI=1S/C16H13Cl3FN/c17-11-6-13(18)16(14(19)7-11)9-1-4-15(20)10(5-9)8-21-12-2-3-12/h1,4-7,12,21H,2-3,8H2
InChIKeyRKQNXLJQPZKRID-UHFFFAOYSA-N
MW344.64 g/mol
LogP5.70
Rot. Bonds4

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

N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 105350055) has the molecular formula C16H13Cl3FN and a molecular weight of 344.64 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID105350055
Molecular FormulaC16H13Cl3FN
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC NameN-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1CNC1CC1
InChIInChI=1S/C16H13Cl3FN/c17-11-6-13(18)16(14(19)7-11)9-1-4-15(20)10(5-9)8-21-12-2-3-12/h1,4-7,12,21H,2-3,8H2
InChIKeyRKQNXLJQPZKRID-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.64
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]ethanamine
CID 105350026
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844
N-[[2-fluoro-5-(3-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 54911490
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61033402
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 63962452
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
N-[[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82878882
1-[4-[4-fluoro-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 69166555
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine (CID 105350055) is N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine is Fc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1CNC1CC1.
What is the InChIKey of N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is RKQNXLJQPZKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3FN/c17-11-6-13(18)16(14(19)7-11)9-1-4-15(20)10(5-9)8-21-12-2-3-12/h1,4-7,12,21H,2-3,8H2.
What are the key properties of N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine?
N-[[2-fluoro-5-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 344.64 g/mol, XLogP of 5.70, 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]cyclopropanamine is sourced from PubChem (CID 105350055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).