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

C14H12F4N2O — CID 107291766

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1C(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H12F4N2O/c1-21-13-9(3-2-6-20-13)12(19)8-4-5-11(15)10(7-8)14(16,17)18/h2-7,12H,19H2,1H3
InChIKeyYJDJWVADFJDMSQ-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.30
Rot. Bonds3

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

[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine (PubChem CID 107291766) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine
PubChem CID107291766
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1C(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H12F4N2O/c1-21-13-9(3-2-6-20-13)12(19)8-4-5-11(15)10(7-8)14(16,17)18/h2-7,12H,19H2,1H3
InChIKeyYJDJWVADFJDMSQ-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 105143130
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104514714
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(2-fluoro-4,6-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 106883912
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
CID 107289329
(2-methoxy-3-pyridinyl)-(2-methylphenyl)methanamine
CID 105094474
1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142640
(2,4-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 115605058
[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methanamine
CID 107288835
N-[(3,4-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 115605106

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine (CID 107291766) is [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine is COc1ncccc1C(N)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine?
The InChIKey is YJDJWVADFJDMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c1-21-13-9(3-2-6-20-13)12(19)8-4-5-11(15)10(7-8)14(16,17)18/h2-7,12H,19H2,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine?
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine has a molecular weight of 300.26 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 107291766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).