2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine

C15H13ClF3N — CID 118842268

IUPAC2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESNCCc1cc(-c2ccccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H13ClF3N/c16-14-6-5-10(9-11(14)7-8-20)12-3-1-2-4-13(12)15(17,18)19/h1-6,9H,7-8,20H2
InChIKeyOVBVBQCFSSDZDI-UHFFFAOYSA-N
MW299.72 g/mol
LogP4.53
Rot. Bonds3

About 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine

2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine (PubChem CID 118842268) has the molecular formula C15H13ClF3N and a molecular weight of 299.72 g/mol. Its IUPAC name is 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
PubChem CID118842268
Molecular FormulaC15H13ClF3N
Molecular Weight299.72 g/mol
Exact Mass299.07
IUPAC Name2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
SMILESNCCc1cc(-c2ccccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H13ClF3N/c16-14-6-5-10(9-11(14)7-8-20)12-3-1-2-4-13(12)15(17,18)19/h1-6,9H,7-8,20H2
InChIKeyOVBVBQCFSSDZDI-UHFFFAOYSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82039542
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
4-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 50994110
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562
4-[2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzonitrile
CID 57044335
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
2-chloro-4-[2-(trifluoromethyl)phenyl]benzenesulfonyl chloride
CID 165350148
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-[3-(aminomethyl)-4-chlorophenyl]phenol
CID 115039900
1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 119000204

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine (CID 118842268) is 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine is NCCc1cc(-c2ccccc2C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine?
The InChIKey is OVBVBQCFSSDZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N/c16-14-6-5-10(9-11(14)7-8-20)12-3-1-2-4-13(12)15(17,18)19/h1-6,9H,7-8,20H2.
What are the key properties of 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine?
2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine has a molecular weight of 299.72 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-[2-(trifluoromethyl)phenyl]phenyl]ethanamine is sourced from PubChem (CID 118842268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).