1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C14H11BrF4N2 — CID 102708596

IUPAC1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1ccc(Br)cc1F)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H11BrF4N2/c1-20-13(9-3-2-8(15)6-12(9)16)10-7-21-5-4-11(10)14(17,18)19/h2-7,13,20H,1H3
InChIKeyABOGTNGKKHWZTR-UHFFFAOYSA-N
MW363.15 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708596) has the molecular formula C14H11BrF4N2 and a molecular weight of 363.15 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708596
Molecular FormulaC14H11BrF4N2
Molecular Weight363.15 g/mol
Exact Mass362.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1ccc(Br)cc1F)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H11BrF4N2/c1-20-13(9-3-2-8(15)6-12(9)16)10-7-21-5-4-11(10)14(17,18)19/h2-7,13,20H,1H3
InChIKeyABOGTNGKKHWZTR-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708381
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105280899
1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708195
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708387
N-methyl-1-(5-methyl-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709913
1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105038403
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62688972
1-(2-fluoro-4-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006295

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708596) is 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CNC(c1ccc(Br)cc1F)c1cnccc1C(F)(F)F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is ABOGTNGKKHWZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4N2/c1-20-13(9-3-2-8(15)6-12(9)16)10-7-21-5-4-11(10)14(17,18)19/h2-7,13,20H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 363.15 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).