N,N-diethyl-4-thiophen-3-ylaniline

C14H17NS — CID 101198022

IUPACN,N-diethyl-4-thiophen-3-ylaniline
SMILESCCN(CC)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C14H17NS/c1-3-15(4-2)14-7-5-12(6-8-14)13-9-10-16-11-13/h5-11H,3-4H2,1-2H3
InChIKeyNLIVRRXMZGALDK-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.26
Rot. Bonds4

About N,N-diethyl-4-thiophen-3-ylaniline

N,N-diethyl-4-thiophen-3-ylaniline (PubChem CID 101198022) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N,N-diethyl-4-thiophen-3-ylaniline.

Molecular Properties

Compound NameN,N-diethyl-4-thiophen-3-ylaniline
PubChem CID101198022
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN,N-diethyl-4-thiophen-3-ylaniline
SMILESCCN(CC)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C14H17NS/c1-3-15(4-2)14-7-5-12(6-8-14)13-9-10-16-11-13/h5-11H,3-4H2,1-2H3
InChIKeyNLIVRRXMZGALDK-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-thiophen-3-ylaniline?
The IUPAC name of N,N-diethyl-4-thiophen-3-ylaniline (CID 101198022) is N,N-diethyl-4-thiophen-3-ylaniline.
What is the SMILES notation for N,N-diethyl-4-thiophen-3-ylaniline?
The canonical SMILES for N,N-diethyl-4-thiophen-3-ylaniline is CCN(CC)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N,N-diethyl-4-thiophen-3-ylaniline?
The InChIKey is NLIVRRXMZGALDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-15(4-2)14-7-5-12(6-8-14)13-9-10-16-11-13/h5-11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-thiophen-3-ylaniline?
N,N-diethyl-4-thiophen-3-ylaniline has a molecular weight of 231.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-thiophen-3-ylaniline is sourced from PubChem (CID 101198022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).