1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine

C14H9ClF5N — CID 43607978

IUPAC1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCNC(c1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9ClF5N/c1-21-14(6-2-4-7(15)5-3-6)8-9(16)11(18)13(20)12(19)10(8)17/h2-5,14,21H,1H3
InChIKeyFGSDTLDLBNYFHZ-UHFFFAOYSA-N
MW321.68 g/mol
LogP4.34
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine

1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 43607978) has the molecular formula C14H9ClF5N and a molecular weight of 321.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID43607978
Molecular FormulaC14H9ClF5N
Molecular Weight321.68 g/mol
Exact Mass321.03
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCNC(c1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9ClF5N/c1-21-14(6-2-4-7(15)5-3-6)8-9(16)11(18)13(20)12(19)10(8)17/h2-5,14,21H,1H3
InChIKeyFGSDTLDLBNYFHZ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.68
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine
CID 43607979
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
1-(4-chlorophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481387
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114275383
1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-3-ylmethanamine
CID 104988232
1-(2-chloro-6-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 79747635
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115827734

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine (CID 43607978) is 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine is CNC(c1ccc(Cl)cc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is FGSDTLDLBNYFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF5N/c1-21-14(6-2-4-7(15)5-3-6)8-9(16)11(18)13(20)12(19)10(8)17/h2-5,14,21H,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine?
1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 321.68 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 43607978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).