(E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine

C17H20FNS — CID 103093350

IUPAC(E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C17H20FNS/c1-4-19-13(3)12(2)11-14-9-10-17(20-14)15-7-5-6-8-16(15)18/h5-11,13,19H,4H2,1-3H3/b12-11+
InChIKeyOOJNYEFJUFADGB-VAWYXSNFSA-N
MW289.42 g/mol
LogP4.96
Rot. Bonds5

About (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine

(E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine (PubChem CID 103093350) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine
PubChem CID103093350
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name(E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine
SMILESCCNC(C)/C(C)=C/c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C17H20FNS/c1-4-19-13(3)12(2)11-14-9-10-17(20-14)15-7-5-6-8-16(15)18/h5-11,13,19H,4H2,1-3H3/b12-11+
InChIKeyOOJNYEFJUFADGB-VAWYXSNFSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine?
The IUPAC name of (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine (CID 103093350) is (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine?
The canonical SMILES for (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine is CCNC(C)/C(C)=C/c1ccc(-c2ccccc2F)s1.
What is the InChIKey of (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine?
The InChIKey is OOJNYEFJUFADGB-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H20FNS/c1-4-19-13(3)12(2)11-14-9-10-17(20-14)15-7-5-6-8-16(15)18/h5-11,13,19H,4H2,1-3H3/b12-11+.
What are the key properties of (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine?
(E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine has a molecular weight of 289.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-[5-(2-fluorophenyl)thiophen-2-yl]-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103093350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).