[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine

C15H13F4NO — CID 172649980

IUPAC[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1ccc(F)c(-c2ccc(OC(F)(F)F)c(CN)c2)c1
InChIInChI=1S/C15H13F4NO/c1-9-2-4-13(16)12(6-9)10-3-5-14(11(7-10)8-20)21-15(17,18)19/h2-7H,8,20H2,1H3
InChIKeyLVQCBDWNCBLHQQ-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.16
Rot. Bonds3

About [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine

[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 172649980) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
PubChem CID172649980
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1ccc(F)c(-c2ccc(OC(F)(F)F)c(CN)c2)c1
InChIInChI=1S/C15H13F4NO/c1-9-2-4-13(16)12(6-9)10-3-5-14(11(7-10)8-20)21-15(17,18)19/h2-7H,8,20H2,1H3
InChIKeyLVQCBDWNCBLHQQ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-fluoro-2-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine
CID 172649966
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
[5-(2-chloro-5-fluorophenyl)-2-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 172654217
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997
[4-(2-fluoro-5-methylphenyl)phenyl]methanamine;hydrochloride
CID 168665262
[5-methyl-2-(trifluoromethoxy)phenyl]methanol
CID 67765469
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
5-(2-fluoro-5-methylphenyl)-2-methoxyphenol
CID 53220775
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743
1-[difluoro-(4-methylphenyl)methoxy]-2,3-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 135223702
1-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-methylnaphthalene
CID 23565854

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine (CID 172649980) is [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine is Cc1ccc(F)c(-c2ccc(OC(F)(F)F)c(CN)c2)c1.
What is the InChIKey of [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is LVQCBDWNCBLHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-9-2-4-13(16)12(6-9)10-3-5-14(11(7-10)8-20)21-15(17,18)19/h2-7H,8,20H2,1H3.
What are the key properties of [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine?
[5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 299.27 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-5-methylphenyl)-2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 172649980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).