(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine

C13H14FNS — CID 115827861

IUPAC(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
SMILESCCc1ccsc1C(N)c1ccccc1F
InChIInChI=1S/C13H14FNS/c1-2-9-7-8-16-13(9)12(15)10-5-3-4-6-11(10)14/h3-8,12H,2,15H2,1H3
InChIKeyHLNHEXYBAPNKOJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.50
Rot. Bonds3

About (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine

(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine (PubChem CID 115827861) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
PubChem CID115827861
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
SMILESCCc1ccsc1C(N)c1ccccc1F
InChIInChI=1S/C13H14FNS/c1-2-9-7-8-16-13(9)12(15)10-5-3-4-6-11(10)14/h3-8,12H,2,15H2,1H3
InChIKeyHLNHEXYBAPNKOJ-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726
(4-bromo-3-chloro-2-fluorophenyl)-(3-ethylthiophen-2-yl)methanamine
CID 106764566
(2,5-dimethylfuran-3-yl)-(3-ethylthiophen-2-yl)methanamine
CID 79985063
(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine
CID 103136203
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 79973815
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
[(3-ethylthiophen-2-yl)-naphthalen-1-ylmethyl]hydrazine
CID 105301201
1-(3-ethylthiophen-2-yl)prop-2-yn-1-amine
CID 104995454
(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 79985784
(3-ethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134660

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine (CID 115827861) is (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine is CCc1ccsc1C(N)c1ccccc1F.
What is the InChIKey of (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine?
The InChIKey is HLNHEXYBAPNKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-2-9-7-8-16-13(9)12(15)10-5-3-4-6-11(10)14/h3-8,12H,2,15H2,1H3.
What are the key properties of (3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine?
(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine has a molecular weight of 235.33 g/mol, XLogP of 3.50, 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-fluorophenyl)methanamine is sourced from PubChem (CID 115827861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).