(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone

C14H15NO2S — CID 82152491

IUPAC(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
SMILESCC(C)Oc1ccc(C(=O)c2cccs2)cc1N
InChIInChI=1S/C14H15NO2S/c1-9(2)17-12-6-5-10(8-11(12)15)14(16)13-4-3-7-18-13/h3-9H,15H2,1-2H3
InChIKeyQKYCPUMYFGCKTO-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.35
Rot. Bonds4

About (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone

(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone (PubChem CID 82152491) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
PubChem CID82152491
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
SMILESCC(C)Oc1ccc(C(=O)c2cccs2)cc1N
InChIInChI=1S/C14H15NO2S/c1-9(2)17-12-6-5-10(8-11(12)15)14(16)13-4-3-7-18-13/h3-9H,15H2,1-2H3
InChIKeyQKYCPUMYFGCKTO-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82052946
1-(3-amino-4-propan-2-yloxyphenyl)-2,2-dimethylpropan-1-one
CID 82152486
2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylpropan-1-one
CID 46307919
2-[2-bromo-4-(thiophene-2-carbonyl)phenoxy]butanoic acid
CID 54452091
(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82152488
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 10569527
2-(2-amino-4-methylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 46307920
2,5-di(propan-2-yloxy)aniline
CID 18997718
[4-(1,1-dihydroxypropan-2-yl)phenyl]-thiophen-2-ylmethanone
CID 70586978
[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
CID 131667569
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone (CID 82152491) is (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone is CC(C)Oc1ccc(C(=O)c2cccs2)cc1N.
What is the InChIKey of (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone?
The InChIKey is QKYCPUMYFGCKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(2)17-12-6-5-10(8-11(12)15)14(16)13-4-3-7-18-13/h3-9H,15H2,1-2H3.
What are the key properties of (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone?
(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone has a molecular weight of 261.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82152491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).