3-propoxy-5-(thiophen-2-ylmethoxy)aniline

C14H17NO2S — CID 80747853

IUPAC3-propoxy-5-(thiophen-2-ylmethoxy)aniline
SMILESCCCOc1cc(N)cc(OCc2cccs2)c1
InChIInChI=1S/C14H17NO2S/c1-2-5-16-12-7-11(15)8-13(9-12)17-10-14-4-3-6-18-14/h3-4,6-9H,2,5,10,15H2,1H3
InChIKeyDNWLFKFWMRJQLQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.70
Rot. Bonds6

About 3-propoxy-5-(thiophen-2-ylmethoxy)aniline

3-propoxy-5-(thiophen-2-ylmethoxy)aniline (PubChem CID 80747853) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-propoxy-5-(thiophen-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3-propoxy-5-(thiophen-2-ylmethoxy)aniline
PubChem CID80747853
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-propoxy-5-(thiophen-2-ylmethoxy)aniline
SMILESCCCOc1cc(N)cc(OCc2cccs2)c1
InChIInChI=1S/C14H17NO2S/c1-2-5-16-12-7-11(15)8-13(9-12)17-10-14-4-3-6-18-14/h3-4,6-9H,2,5,10,15H2,1H3
InChIKeyDNWLFKFWMRJQLQ-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-(thiophen-2-ylmethoxy)aniline
CID 80751724
2-[2-[3,5-bis(thiophen-2-ylmethoxy)phenyl]ethyl]thiophene
CID 135169401
3-N-methyl-5-propoxy-3-N-(1-thiophen-2-ylethyl)benzene-1,3-diamine
CID 80739267
3-methyl-5-(thiophen-2-ylmethoxy)phenol
CID 107680166
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
3-fluoro-5-propoxyaniline
CID 80752315
3-(thiophen-2-ylmethoxy)phenol
CID 43143563
3-(oxetan-3-yloxy)-5-propoxyaniline
CID 102605481
4-propoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873586
5-methyl-6-(thiophen-2-ylmethoxy)pyridin-3-amine
CID 62475410
5-ethoxy-3-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,3-diamine
CID 80735659

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-5-(thiophen-2-ylmethoxy)aniline?
The IUPAC name of 3-propoxy-5-(thiophen-2-ylmethoxy)aniline (CID 80747853) is 3-propoxy-5-(thiophen-2-ylmethoxy)aniline.
What is the SMILES notation for 3-propoxy-5-(thiophen-2-ylmethoxy)aniline?
The canonical SMILES for 3-propoxy-5-(thiophen-2-ylmethoxy)aniline is CCCOc1cc(N)cc(OCc2cccs2)c1.
What is the InChIKey of 3-propoxy-5-(thiophen-2-ylmethoxy)aniline?
The InChIKey is DNWLFKFWMRJQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-2-5-16-12-7-11(15)8-13(9-12)17-10-14-4-3-6-18-14/h3-4,6-9H,2,5,10,15H2,1H3.
What are the key properties of 3-propoxy-5-(thiophen-2-ylmethoxy)aniline?
3-propoxy-5-(thiophen-2-ylmethoxy)aniline has a molecular weight of 263.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-5-(thiophen-2-ylmethoxy)aniline is sourced from PubChem (CID 80747853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).