[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine

C15H14F3N — CID 129154957

IUPAC[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESCc1cc(-c2cccc(CN)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N/c1-10-5-13(8-14(6-10)15(16,17)18)12-4-2-3-11(7-12)9-19/h2-8H,9,19H2,1H3
InChIKeyBROFMQFUBIVNFK-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.14
Rot. Bonds2

About [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine

[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 129154957) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID129154957
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESCc1cc(-c2cccc(CN)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N/c1-10-5-13(8-14(6-10)15(16,17)18)12-4-2-3-11(7-12)9-19/h2-8H,9,19H2,1H3
InChIKeyBROFMQFUBIVNFK-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine (CID 129154957) is [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine is Cc1cc(-c2cccc(CN)c2)cc(C(F)(F)F)c1.
What is the InChIKey of [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is BROFMQFUBIVNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-10-5-13(8-14(6-10)15(16,17)18)12-4-2-3-11(7-12)9-19/h2-8H,9,19H2,1H3.
What are the key properties of [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine?
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 265.28 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 129154957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).