[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine

C15H14F3NO — CID 155804270

IUPAC[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1CN
InChIInChI=1S/C15H14F3NO/c1-10-2-3-12(8-13(10)9-19)11-4-6-14(7-5-11)20-15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyKZQYLIXLSZXIJT-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.02
Rot. Bonds3

About [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine

[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine (PubChem CID 155804270) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
PubChem CID155804270
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1CN
InChIInChI=1S/C15H14F3NO/c1-10-2-3-12(8-13(10)9-19)11-4-6-14(7-5-11)20-15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyKZQYLIXLSZXIJT-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
[2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine;hydrochloride
CID 171037282
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran
CID 155607191
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-fluoro-4-[2-methyl-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 89494916
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090
3-[[4-[2-[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid
CID 11852851
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The IUPAC name of [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine (CID 155804270) is [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine is Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1CN.
What is the InChIKey of [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The InChIKey is KZQYLIXLSZXIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-2-3-12(8-13(10)9-19)11-4-6-14(7-5-11)20-15(16,17)18/h2-8H,9,19H2,1H3.
What are the key properties of [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
[2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine has a molecular weight of 281.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[4-(trifluoromethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 155804270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).