3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine

C14H17NO2S — CID 112501785

IUPAC3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(OC(CCN)c2cccs2)cc1
InChIInChI=1S/C14H17NO2S/c1-16-11-4-6-12(7-5-11)17-13(8-9-15)14-3-2-10-18-14/h2-7,10,13H,8-9,15H2,1H3
InChIKeyUEQSSQKENZQJMG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.23
Rot. Bonds6

About 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine

3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine (PubChem CID 112501785) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
PubChem CID112501785
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
SMILESCOc1ccc(OC(CCN)c2cccs2)cc1
InChIInChI=1S/C14H17NO2S/c1-16-11-4-6-12(7-5-11)17-13(8-9-15)14-3-2-10-18-14/h2-7,10,13H,8-9,15H2,1H3
InChIKeyUEQSSQKENZQJMG-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
5-(4-methylphenoxy)-5-thiophen-2-ylpentan-1-amine
CID 118530471
3-(4-methoxyphenoxy)-3-pyridin-4-ylpropan-1-amine;hydrochloride
CID 142659872
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
2-(4-methoxyphenoxy)-1-thiophen-2-ylethanamine
CID 117240220
(3S)-N,N-dimethyl-3-naphthalen-2-yloxy-3-thiophen-2-ylpropan-1-amine
CID 59167065
2-[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethanol
CID 90229934
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 55022021
4-(4-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516898
3-(2-methoxyphenyl)-3-phenoxypropan-1-amine
CID 112501709
N-methyl-3-[4-(2-methylbutyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146420156

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine (CID 112501785) is 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine is COc1ccc(OC(CCN)c2cccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is UEQSSQKENZQJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-16-11-4-6-12(7-5-11)17-13(8-9-15)14-3-2-10-18-14/h2-7,10,13H,8-9,15H2,1H3.
What are the key properties of 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine?
3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 112501785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).