(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine

C15H14F3N — CID 62963946

IUPAC(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H14F3N/c1-2-9-3-5-10(6-4-9)15(19)11-7-8-12(16)14(18)13(11)17/h3-8,15H,2,19H2,1H3
InChIKeyWRFBBVJYJQWVHR-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.71
Rot. Bonds3

About (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine

(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 62963946) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID62963946
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C15H14F3N/c1-2-9-3-5-10(6-4-9)15(19)11-7-8-12(16)14(18)13(11)17/h3-8,15H,2,19H2,1H3
InChIKeyWRFBBVJYJQWVHR-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.71
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

2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
(2,5-dimethylphenyl)-(4-ethylphenyl)methanamine
CID 43198611
(4-ethylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 43197636
(4-butan-2-ylphenyl)-(2,3-difluorophenyl)methanamine
CID 62648688
N-[(2-bromo-3,4-difluorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 107539210
1-[(4-butylphenyl)-chloromethyl]-2,3,4-trifluorobenzene
CID 79756900
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
1-(2-ethyl-3,4-difluorophenyl)ethanamine
CID 55271184
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803367
(1S,2R)-1-amino-1-(2,3,4-trifluorophenyl)butan-2-ol
CID 131568050

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine (CID 62963946) is (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine is CCc1ccc(C(N)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is WRFBBVJYJQWVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-9-3-5-10(6-4-9)15(19)11-7-8-12(16)14(18)13(11)17/h3-8,15H,2,19H2,1H3.
What are the key properties of (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine?
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 265.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 62963946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).