(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine

C16H16F3N — CID 43197636

IUPAC(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCc1ccc(C(N)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N/c1-2-11-7-9-12(10-8-11)15(20)13-5-3-4-6-14(13)16(17,18)19/h3-10,15H,2,20H2,1H3
InChIKeyJEXSLRKUBQQHKC-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.32
Rot. Bonds3

About (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine

(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43197636) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID43197636
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESCCc1ccc(C(N)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H16F3N/c1-2-11-7-9-12(10-8-11)15(20)13-5-3-4-6-14(13)16(17,18)19/h3-10,15H,2,20H2,1H3
InChIKeyJEXSLRKUBQQHKC-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853868
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946
2-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853891
2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 43115595
(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145412
(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171249000
2-(5-ethylthiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115842275
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine (CID 43197636) is (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine is CCc1ccc(C(N)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JEXSLRKUBQQHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-2-11-7-9-12(10-8-11)15(20)13-5-3-4-6-14(13)16(17,18)19/h3-10,15H,2,20H2,1H3.
What are the key properties of (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine?
(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 279.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43197636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).