N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

C15H12F5N — CID 62049514

IUPACN-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFc1cccc(F)c1CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F5N/c16-13-6-3-7-14(17)11(13)9-21-8-10-4-1-2-5-12(10)15(18,19)20/h1-7,21H,8-9H2
InChIKeyFSAWTAGQNLSVMF-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.27
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 62049514) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID62049514
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFc1cccc(F)c1CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F5N/c16-13-6-3-7-14(17)11(13)9-21-8-10-4-1-2-5-12(10)15(18,19)20/h1-7,21H,8-9H2
InChIKeyFSAWTAGQNLSVMF-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
N-[(2,6-difluorophenyl)methyl]-1-naphthalen-1-ylmethanamine
CID 62047867
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
1-(3-chloro-4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60615965
1-(4-bromo-3-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 78982782
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
2-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]thiophen-3-amine
CID 66387997

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 62049514) is N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is Fc1cccc(F)c1CNCc1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FSAWTAGQNLSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c16-13-6-3-7-14(17)11(13)9-21-8-10-4-1-2-5-12(10)15(18,19)20/h1-7,21H,8-9H2.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 301.26 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 62049514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).