(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine

C13H12F3NS — CID 103301726

IUPAC(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
SMILESCCc1ccsc1C(N)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H12F3NS/c1-2-7-3-4-18-13(7)12(17)8-5-10(15)11(16)6-9(8)14/h3-6,12H,2,17H2,1H3
InChIKeyHWOUAXOFDFVKRW-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.78
Rot. Bonds3

About (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine

(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103301726) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
PubChem CID103301726
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
SMILESCCc1ccsc1C(N)c1cc(F)c(F)cc1F
InChIInChI=1S/C13H12F3NS/c1-2-7-3-4-18-13(7)12(17)8-5-10(15)11(16)6-9(8)14/h3-6,12H,2,17H2,1H3
InChIKeyHWOUAXOFDFVKRW-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
CID 115827861
N-[(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302882
(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine
CID 79985063
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106764566
(3-bromo-2,6-difluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106944602
(2-chloro-4,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 79984891
(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115818464
(3-ethylthiophen-2-yl)-isoquinolin-4-ylmethanamine
CID 115856155

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine (CID 103301726) is (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine is CCc1ccsc1C(N)c1cc(F)c(F)cc1F.
What is the InChIKey of (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is HWOUAXOFDFVKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-2-7-3-4-18-13(7)12(17)8-5-10(15)11(16)6-9(8)14/h3-6,12H,2,17H2,1H3.
What are the key properties of (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine?
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 271.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103301726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).