1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine

C14H15Cl2NS — CID 43154444

IUPAC1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(-c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-8(2)14(17)12-7-6-11(18-12)9-4-3-5-10(15)13(9)16/h3-8,14H,17H2,1-2H3
InChIKeyGQVDWSGBFVHRIX-UHFFFAOYSA-N
MW300.25 g/mol
LogP5.38
Rot. Bonds3

About 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine

1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine (PubChem CID 43154444) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
PubChem CID43154444
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1ccc(-c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C14H15Cl2NS/c1-8(2)14(17)12-7-6-11(18-12)9-4-3-5-10(15)13(9)16/h3-8,14H,17H2,1-2H3
InChIKeyGQVDWSGBFVHRIX-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.25
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[5-(2-methylphenyl)thiophen-2-yl]propan-1-amine
CID 43363500
1-[5-(3-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154483
1-[5-(3-fluoro-2-iodophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 114260897
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43288164
3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 82542688
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154369
5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde
CID 25247619
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
CID 43331832
1-[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 107577065
4-(2,3-dichlorophenyl)-2-propan-2-yl-1,3-thiazol-5-amine
CID 62075682
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154378

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine (CID 43154444) is 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1ccc(-c2cccc(Cl)c2Cl)s1.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
The InChIKey is GQVDWSGBFVHRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-8(2)14(17)12-7-6-11(18-12)9-4-3-5-10(15)13(9)16/h3-8,14H,17H2,1-2H3.
What are the key properties of 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine?
1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine has a molecular weight of 300.25 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)thiophen-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 43154444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).