N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine

C15H19NS — CID 102834416

IUPACN-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1ccsc1C
InChIInChI=1S/C15H19NS/c1-4-16-11(2)13-7-5-6-8-15(13)14-9-10-17-12(14)3/h5-11,16H,4H2,1-3H3
InChIKeyKOPKKKSWLYSNDF-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.39
Rot. Bonds4

About N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine

N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine (PubChem CID 102834416) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine
PubChem CID102834416
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC NameN-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1-c1ccsc1C
InChIInChI=1S/C15H19NS/c1-4-16-11(2)13-7-5-6-8-15(13)14-9-10-17-12(14)3/h5-11,16H,4H2,1-3H3
InChIKeyKOPKKKSWLYSNDF-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine (CID 102834416) is N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine is CCNC(C)c1ccccc1-c1ccsc1C.
What is the InChIKey of N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine?
The InChIKey is KOPKKKSWLYSNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-4-16-11(2)13-7-5-6-8-15(13)14-9-10-17-12(14)3/h5-11,16H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine?
N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine is sourced from PubChem (CID 102834416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).