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

C14H12F3N — CID 1393623

IUPAC[3-[3-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3N/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8H,9,18H2
InChIKeyAVNTZEXLIDRINJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.83
Rot. Bonds2

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

[3-[3-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 1393623) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID1393623
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name[3-[3-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3N/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8H,9,18H2
InChIKeyAVNTZEXLIDRINJ-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine (CID 1393623) is [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1cccc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is AVNTZEXLIDRINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8H,9,18H2.
What are the key properties of [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine?
[3-[3-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 251.25 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 1393623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).