1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

C14H11BrF4N2 — CID 105038403

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C(F)(F)F)c1)c1ccncc1F
InChIInChI=1S/C14H11BrF4N2/c1-20-13(9-4-5-21-7-12(9)16)8-2-3-11(15)10(6-8)14(17,18)19/h2-7,13,20H,1H3
InChIKeyPOXAJRMLDCBNFY-UHFFFAOYSA-N
MW363.15 g/mol
LogP4.31
Rot. Bonds3

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine

1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (PubChem CID 105038403) has the molecular formula C14H11BrF4N2 and a molecular weight of 363.15 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
PubChem CID105038403
Molecular FormulaC14H11BrF4N2
Molecular Weight363.15 g/mol
Exact Mass362.00
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C(F)(F)F)c1)c1ccncc1F
InChIInChI=1S/C14H11BrF4N2/c1-20-13(9-4-5-21-7-12(9)16)8-2-3-11(15)10(6-8)14(17,18)19/h2-7,13,20H,1H3
InChIKeyPOXAJRMLDCBNFY-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

[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708381
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114522070
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62688972
1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 107291869
N-methyl-1-(5-methyl-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709913
[(3-bromo-4-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710530
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine (CID 105038403) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is CNC(c1ccc(Br)c(C(F)(F)F)c1)c1ccncc1F.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
The InChIKey is POXAJRMLDCBNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4N2/c1-20-13(9-4-5-21-7-12(9)16)8-2-3-11(15)10(6-8)14(17,18)19/h2-7,13,20H,1H3.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine?
1-[4-bromo-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine 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-3-(trifluoromethyl)phenyl]-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105038403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).