[3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine

C14H11ClF3N — CID 82039680

IUPAC[3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cccc(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C14H11ClF3N/c15-13-5-4-11(14(16,17)18)7-12(13)10-3-1-2-9(6-10)8-19/h1-7H,8,19H2
InChIKeyOIIOPRAYOMYJNY-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.48
Rot. Bonds2

About [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine

[3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 82039680) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID82039680
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name[3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cccc(-c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C14H11ClF3N/c15-13-5-4-11(14(16,17)18)7-12(13)10-3-1-2-9(6-10)8-19/h1-7H,8,19H2
InChIKeyOIIOPRAYOMYJNY-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine (CID 82039680) is [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1cccc(-c2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is OIIOPRAYOMYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-13-5-4-11(14(16,17)18)7-12(13)10-3-1-2-9(6-10)8-19/h1-7H,8,19H2.
What are the key properties of [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine?
[3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 285.70 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 82039680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).