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

C14H10F5N — CID 43607979

IUPACN-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H10F5N/c1-20-14(7-5-3-2-4-6-7)8-9(15)11(17)13(19)12(18)10(8)16/h2-6,14,20H,1H3
InChIKeyBJZKCNVINZSXBJ-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.69
Rot. Bonds3

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

N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine (PubChem CID 43607979) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine
PubChem CID43607979
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC NameN-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H10F5N/c1-20-14(7-5-3-2-4-6-7)8-9(15)11(17)13(19)12(18)10(8)16/h2-6,14,20H,1H3
InChIKeyBJZKCNVINZSXBJ-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.69
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

1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607978
1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115827734
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-3-ylmethanamine
CID 104988232
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
CID 11101944
CID 11101944
[4-[methylamino(phenyl)methyl]phenyl]methanediamine
CID 165139654
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-phenylmethanamine
CID 81283092

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine?
The IUPAC name of N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine (CID 43607979) is N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine.
What is the SMILES notation for N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine?
The canonical SMILES for N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine is CNC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine?
The InChIKey is BJZKCNVINZSXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c1-20-14(7-5-3-2-4-6-7)8-9(15)11(17)13(19)12(18)10(8)16/h2-6,14,20H,1H3.
What are the key properties of N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine?
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine is sourced from PubChem (CID 43607979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).