1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C15H14F4N2 — CID 102754677

IUPAC1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(F)cn1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C15H14F4N2/c1-9-7-10(15(17,18)19)3-5-12(9)14(20-2)13-6-4-11(16)8-21-13/h3-8,14,20H,1-2H3
InChIKeyRWXIXMPPGJFFRN-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.86
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102754677) has the molecular formula C15H14F4N2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102754677
Molecular FormulaC15H14F4N2
Molecular Weight298.28 g/mol
Exact Mass298.11
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(F)cn1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C15H14F4N2/c1-9-7-10(15(17,18)19)3-5-12(9)14(20-2)13-6-4-11(16)8-21-13/h3-8,14,20H,1-2H3
InChIKeyRWXIXMPPGJFFRN-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753402
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 79712824
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine
CID 102754821
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105087924
1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140563
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757506
1-(2-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105119403
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
[(5-fluoro-2-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105302169
1-(3,4-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79713610

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102754677) is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(F)cn1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RWXIXMPPGJFFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N2/c1-9-7-10(15(17,18)19)3-5-12(9)14(20-2)13-6-4-11(16)8-21-13/h3-8,14,20H,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 298.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102754677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).