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

C16H13F6NO — CID 118854667

IUPAC2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1cccc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H13F6NO/c17-15(18,19)12-6-3-4-10(8-9-23)14(12)11-5-1-2-7-13(11)24-16(20,21)22/h1-7H,8-9,23H2
InChIKeyNAWOSAAMNFUIFX-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.77
Rot. Bonds4

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

2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 118854667) has the molecular formula C16H13F6NO and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID118854667
Molecular FormulaC16H13F6NO
Molecular Weight349.27 g/mol
Exact Mass349.09
IUPAC Name2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine
SMILESNCCc1cccc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H13F6NO/c17-15(18,19)12-6-3-4-10(8-9-23)14(12)11-5-1-2-7-13(11)24-16(20,21)22/h1-7H,8-9,23H2
InChIKeyNAWOSAAMNFUIFX-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzene
CID 134631115
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631566
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307
[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 134631493
2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 175481308

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine (CID 118854667) is 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine is NCCc1cccc(C(F)(F)F)c1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NAWOSAAMNFUIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO/c17-15(18,19)12-6-3-4-10(8-9-23)14(12)11-5-1-2-7-13(11)24-16(20,21)22/h1-7H,8-9,23H2.
What are the key properties of 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine?
2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 118854667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).