(2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine

C16H16F3NO — CID 115854113

IUPAC(2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCCc1ccccc1C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-2-11-6-3-4-9-14(11)15(20)12-7-5-8-13(10-12)21-16(17,18)19/h3-10,15H,2,20H2,1H3
InChIKeyARSCBTGUQQJAGJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.20
Rot. Bonds4

About (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine

(2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115854113) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID115854113
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCCc1ccccc1C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-2-11-6-3-4-9-14(11)15(20)12-7-5-8-13(10-12)21-16(17,18)19/h3-10,15H,2,20H2,1H3
InChIKeyARSCBTGUQQJAGJ-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
(2-methylfuran-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 104789761
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244
2-amino-4-[3-(trifluoromethoxy)phenyl]hexanoic acid
CID 174512632
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931
(3,5-difluorophenyl)-(2-ethylphenyl)methanamine
CID 115851700
(S)-diethoxyphosphoryl-[3-(trifluoromethoxy)phenyl]methanamine
CID 171191880
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine (CID 115854113) is (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine is CCc1ccccc1C(N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is ARSCBTGUQQJAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-11-6-3-4-9-14(11)15(20)12-7-5-8-13(10-12)21-16(17,18)19/h3-10,15H,2,20H2,1H3.
What are the key properties of (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
(2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115854113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).