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

C15H13ClF3NO — CID 119009643

IUPAC2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
SMILESNCCc1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C15H13ClF3NO/c16-14-10(7-8-20)3-2-6-13(14)11-4-1-5-12(9-11)21-15(17,18)19/h1-6,9H,7-8,20H2
InChIKeyOARLOMZMAZEALY-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.41
Rot. Bonds4

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

2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine (PubChem CID 119009643) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
PubChem CID119009643
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
SMILESNCCc1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C15H13ClF3NO/c16-14-10(7-8-20)3-2-6-13(14)11-4-1-5-12(9-11)21-15(17,18)19/h1-6,9H,7-8,20H2
InChIKeyOARLOMZMAZEALY-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-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 164888223
2-[2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]ethanamine
CID 134622608
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 134619600
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
N,N-dimethyl-1-[2-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 139942776
4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629432
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
N-[[2-[3-(trifluoromethoxy)phenyl]phenyl]methyl]ethanamine
CID 62918232

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine (CID 119009643) is 2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine is NCCc1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl.
What is the InChIKey of 2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine?
The InChIKey is OARLOMZMAZEALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-14-10(7-8-20)3-2-6-13(14)11-4-1-5-12(9-11)21-15(17,18)19/h1-6,9H,7-8,20H2.
What are the key properties of 2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine?
2-[2-chloro-3-[3-(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-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine is sourced from PubChem (CID 119009643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).