2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one

C14H15NO2S — CID 46307919

IUPAC2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(OC(C)C(=O)c2cccs2)c(N)c1
InChIInChI=1S/C14H15NO2S/c1-9-5-6-12(11(15)8-9)17-10(2)14(16)13-4-3-7-18-13/h3-8,10H,15H2,1-2H3
InChIKeyLBFQGHQXRZMMDX-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.29
Rot. Bonds4

About 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one

2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one (PubChem CID 46307919) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one
PubChem CID46307919
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(OC(C)C(=O)c2cccs2)c(N)c1
InChIInChI=1S/C14H15NO2S/c1-9-5-6-12(11(15)8-9)17-10(2)14(16)13-4-3-7-18-13/h3-8,10H,15H2,1-2H3
InChIKeyLBFQGHQXRZMMDX-UHFFFAOYSA-N
XLogP3.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.29
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

2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 46307920
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82152491
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
(2-amino-4-methylphenyl) methyl carbonate
CID 130705115
N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931633
N'-[2-(3-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931321
2-(2-amino-4-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 46307899
N-[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756520

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one (CID 46307919) is 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one is Cc1ccc(OC(C)C(=O)c2cccs2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one?
The InChIKey is LBFQGHQXRZMMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-5-6-12(11(15)8-9)17-10(2)14(16)13-4-3-7-18-13/h3-8,10H,15H2,1-2H3.
What are the key properties of 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one?
2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one has a molecular weight of 261.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 46307919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).