1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C16H15F4N — CID 62792020

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1cc(C)ccc1F
InChIInChI=1S/C16H15F4N/c1-10-6-7-14(17)13(8-10)15(21-2)11-4-3-5-12(9-11)16(18,19)20/h3-9,15,21H,1-2H3
InChIKeyZGWVYHACXIFNOR-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.46
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 62792020) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID62792020
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1cc(C)ccc1F
InChIInChI=1S/C16H15F4N/c1-10-6-7-14(17)13(8-10)15(21-2)11-4-3-5-12(9-11)16(18,19)20/h3-9,15,21H,1-2H3
InChIKeyZGWVYHACXIFNOR-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluoro-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 62791138
1-(3-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 79697009
[(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193884
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43486860
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852601
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43481712

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 62792020) is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CNC(c1cccc(C(F)(F)F)c1)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZGWVYHACXIFNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-10-6-7-14(17)13(8-10)15(21-2)11-4-3-5-12(9-11)16(18,19)20/h3-9,15,21H,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.30 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 62792020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).