1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine

C14H17NOS — CID 55020853

IUPAC1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
SMILESCc1cccc(OC(c2cccs2)C(C)N)c1
InChIInChI=1S/C14H17NOS/c1-10-5-3-6-12(9-10)16-14(11(2)15)13-7-4-8-17-13/h3-9,11,14H,15H2,1-2H3
InChIKeyGVYGEWCSSOINHC-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.52
Rot. Bonds4

About 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine

1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine (PubChem CID 55020853) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
PubChem CID55020853
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
SMILESCc1cccc(OC(c2cccs2)C(C)N)c1
InChIInChI=1S/C14H17NOS/c1-10-5-3-6-12(9-10)16-14(11(2)15)13-7-4-8-17-13/h3-9,11,14H,15H2,1-2H3
InChIKeyGVYGEWCSSOINHC-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 62670759
[4-(2-amino-1-thiophen-2-ylpropoxy)phenyl]methanol
CID 55021050
3-(2-amino-1-thiophen-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566523
1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55021040
1-[4-(2-methylbutan-2-yl)phenoxy]-1-thiophen-2-ylpropan-2-amine
CID 63458598
4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516897
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylethyl)guanidine
CID 111502375
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine (CID 55020853) is 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine is Cc1cccc(OC(c2cccs2)C(C)N)c1.
What is the InChIKey of 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is GVYGEWCSSOINHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-5-3-6-12(9-10)16-14(11(2)15)13-7-4-8-17-13/h3-9,11,14H,15H2,1-2H3.
What are the key properties of 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine?
1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 247.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 55020853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).