2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one

C14H14ClNOS — CID 107361524

IUPAC2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1sccc1Cl)c1ccc(N)cc1
InChIInChI=1S/C14H14ClNOS/c1-14(2,9-3-5-10(16)6-4-9)13(17)12-11(15)7-8-18-12/h3-8H,16H2,1-2H3
InChIKeyKDHXZNKTIYPUNC-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.14
Rot. Bonds3

About 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one

2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one (PubChem CID 107361524) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
PubChem CID107361524
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)c1sccc1Cl)c1ccc(N)cc1
InChIInChI=1S/C14H14ClNOS/c1-14(2,9-3-5-10(16)6-4-9)13(17)12-11(15)7-8-18-12/h3-8H,16H2,1-2H3
InChIKeyKDHXZNKTIYPUNC-UHFFFAOYSA-N
XLogP4.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one (CID 107361524) is 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one is CC(C)(C(=O)c1sccc1Cl)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one?
The InChIKey is KDHXZNKTIYPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-14(2,9-3-5-10(16)6-4-9)13(17)12-11(15)7-8-18-12/h3-8H,16H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one has a molecular weight of 279.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3-chlorothiophen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 107361524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).