[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine

C15H13F4NO — CID 107289743

IUPAC[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1CN
InChIInChI=1S/C15H13F4NO/c1-21-14-5-3-9(6-11(14)8-20)10-2-4-13(16)12(7-10)15(17,18)19/h2-7H,8,20H2,1H3
InChIKeyRGABYEPFUQNRMG-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.98
Rot. Bonds3

About [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine

[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine (PubChem CID 107289743) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
PubChem CID107289743
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1CN
InChIInChI=1S/C15H13F4NO/c1-21-14-5-3-9(6-11(14)8-20)10-2-4-13(16)12(7-10)15(17,18)19/h2-7H,8,20H2,1H3
InChIKeyRGABYEPFUQNRMG-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
CID 166784771
[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine
CID 102721800
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649980
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997

Frequently Asked Questions

What is the IUPAC name of [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine (CID 107289743) is [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine is COc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1CN.
What is the InChIKey of [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine?
The InChIKey is RGABYEPFUQNRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-21-14-5-3-9(6-11(14)8-20)10-2-4-13(16)12(7-10)15(17,18)19/h2-7H,8,20H2,1H3.
What are the key properties of [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine?
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine has a molecular weight of 299.27 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 107289743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).