N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine

C14H12F3N — CID 61239496

IUPACN-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
SMILESCNCc1cccc(-c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H12F3N/c1-18-8-9-3-2-4-10(5-9)11-6-12(15)14(17)13(16)7-11/h2-7,18H,8H2,1H3
InChIKeyAHEYWNRYXXHJKD-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.49
Rot. Bonds3

About N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine

N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine (PubChem CID 61239496) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
PubChem CID61239496
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
SMILESCNCc1cccc(-c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H12F3N/c1-18-8-9-3-2-4-10(5-9)11-6-12(15)14(17)13(16)7-11/h2-7,18H,8H2,1H3
InChIKeyAHEYWNRYXXHJKD-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
[3-(3,4,5-trifluorophenyl)phenyl]methanol
CID 172650671
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
1-[4-fluoro-3-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545345
1-[3-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731957
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 113324415
1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine (CID 61239496) is N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine is CNCc1cccc(-c2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine?
The InChIKey is AHEYWNRYXXHJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-18-8-9-3-2-4-10(5-9)11-6-12(15)14(17)13(16)7-11/h2-7,18H,8H2,1H3.
What are the key properties of N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine?
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine has a molecular weight of 251.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine is sourced from PubChem (CID 61239496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).