[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine

C14H12F4N2 — CID 107288835

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine
SMILESCc1cccnc1C(N)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H12F4N2/c1-8-3-2-6-20-13(8)12(19)9-4-5-10(11(15)7-9)14(16,17)18/h2-7,12H,19H2,1H3
InChIKeyXTXYFPRGVATOTD-UHFFFAOYSA-N
MW284.26 g/mol
LogP3.60
Rot. Bonds2

About [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine

[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine (PubChem CID 107288835) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine
PubChem CID107288835
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine
SMILESCc1cccnc1C(N)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H12F4N2/c1-8-3-2-6-20-13(8)12(19)9-4-5-10(11(15)7-9)14(16,17)18/h2-7,12H,19H2,1H3
InChIKeyXTXYFPRGVATOTD-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144422
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methanamine
CID 107978063
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-iodophenyl)methanamine
CID 107291498
(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 71165432
(S)-N-[(S)-[3-fluoro-4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
CID 89310493
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107289316

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine (CID 107288835) is [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine is Cc1cccnc1C(N)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine?
The InChIKey is XTXYFPRGVATOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-8-3-2-6-20-13(8)12(19)9-4-5-10(11(15)7-9)14(16,17)18/h2-7,12H,19H2,1H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine?
[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine has a molecular weight of 284.26 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 107288835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).