2-propoxy-N-(1-thiophen-2-ylethyl)aniline

C15H19NOS — CID 43682309

IUPAC2-propoxy-N-(1-thiophen-2-ylethyl)aniline
SMILESCCCOc1ccccc1NC(C)c1cccs1
InChIInChI=1S/C15H19NOS/c1-3-10-17-14-8-5-4-7-13(14)16-12(2)15-9-6-11-18-15/h4-9,11-12,16H,3,10H2,1-2H3
InChIKeyIJTPNPLAOQWRJV-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.71
Rot. Bonds6

About 2-propoxy-N-(1-thiophen-2-ylethyl)aniline

2-propoxy-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43682309) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-propoxy-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-propoxy-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43682309
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-propoxy-N-(1-thiophen-2-ylethyl)aniline
SMILESCCCOc1ccccc1NC(C)c1cccs1
InChIInChI=1S/C15H19NOS/c1-3-10-17-14-8-5-4-7-13(14)16-12(2)15-9-6-11-18-15/h4-9,11-12,16H,3,10H2,1-2H3
InChIKeyIJTPNPLAOQWRJV-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689182
N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(3-bromophenyl)ethyl]-2-propoxyaniline
CID 43682326
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-propoxyaniline
CID 43780690

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-propoxy-N-(1-thiophen-2-ylethyl)aniline (CID 43682309) is 2-propoxy-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-propoxy-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-propoxy-N-(1-thiophen-2-ylethyl)aniline is CCCOc1ccccc1NC(C)c1cccs1.
What is the InChIKey of 2-propoxy-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is IJTPNPLAOQWRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-10-17-14-8-5-4-7-13(14)16-12(2)15-9-6-11-18-15/h4-9,11-12,16H,3,10H2,1-2H3.
What are the key properties of 2-propoxy-N-(1-thiophen-2-ylethyl)aniline?
2-propoxy-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 261.39 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43682309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).