2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine

C15H13ClF3NO — CID 119022722

IUPAC2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
SMILESNCCc1cccc(-c2ccccc2OC(F)(F)F)c1Cl
InChIInChI=1S/C15H13ClF3NO/c16-14-10(8-9-20)4-3-6-12(14)11-5-1-2-7-13(11)21-15(17,18)19/h1-7H,8-9,20H2
InChIKeyASZQEQBFFIZPSB-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.41
Rot. Bonds4

About 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine

2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine (PubChem CID 119022722) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
PubChem CID119022722
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
SMILESNCCc1cccc(-c2ccccc2OC(F)(F)F)c1Cl
InChIInChI=1S/C15H13ClF3NO/c16-14-10(8-9-20)4-3-6-12(14)11-5-1-2-7-13(11)21-15(17,18)19/h1-7H,8-9,20H2
InChIKeyASZQEQBFFIZPSB-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine
CID 118854667
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631493
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
2-(bromomethyl)-4-chloro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134619432
2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 175481308
3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 133088932
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine (CID 119022722) is 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine is NCCc1cccc(-c2ccccc2OC(F)(F)F)c1Cl.
What is the InChIKey of 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The InChIKey is ASZQEQBFFIZPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-14-10(8-9-20)4-3-6-12(14)11-5-1-2-7-13(11)21-15(17,18)19/h1-7H,8-9,20H2.
What are the key properties of 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine?
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine is sourced from PubChem (CID 119022722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).