2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine

C16H16F3N — CID 115803114

IUPAC2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H16F3N/c1-2-10-3-5-11(6-4-10)9-14(20)12-7-8-13(17)16(19)15(12)18/h3-8,14H,2,9,20H2,1H3
InChIKeyLMVCMKDQUNDCOT-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine

2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 115803114) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID115803114
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H16F3N/c1-2-10-3-5-11(6-4-10)9-14(20)12-7-8-13(17)16(19)15(12)18/h3-8,14H,2,9,20H2,1H3
InChIKeyLMVCMKDQUNDCOT-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803367
2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62965496
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946
(1R)-1-(2,3,4-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171205782
1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803766
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine
CID 107538761
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115803857
(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
CID 171225380
(1S,2R)-1-amino-1-(2,3,4-trifluorophenyl)butan-2-ol
CID 131568050
N',N'-diethyl-1-(2,3,4-trifluorophenyl)propane-1,3-diamine
CID 79087025
1-(4-bromo-2,6-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803938

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine (CID 115803114) is 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine is CCc1ccc(CC(N)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is LMVCMKDQUNDCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-2-10-3-5-11(6-4-10)9-14(20)12-7-8-13(17)16(19)15(12)18/h3-8,14H,2,9,20H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine?
2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 279.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 115803114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).