1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine

C18H25NS — CID 43287611

IUPAC1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cccc(C)c2C)s1
InChIInChI=1S/C18H25NS/c1-5-12-19-16(6-2)18-11-10-17(20-18)15-9-7-8-13(3)14(15)4/h7-11,16,19H,5-6,12H2,1-4H3
InChIKeyYUAHTULEDDRKRH-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.48
Rot. Bonds6

About 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine

1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine (PubChem CID 43287611) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
PubChem CID43287611
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cccc(C)c2C)s1
InChIInChI=1S/C18H25NS/c1-5-12-19-16(6-2)18-11-10-17(20-18)15-9-7-8-13(3)14(15)4/h7-11,16,19H,5-6,12H2,1-4H3
InChIKeyYUAHTULEDDRKRH-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-chloro-2-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287799
1-[5-(4-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43287473
1-[5-(3-bromophenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 43288036
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 63400689
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 107586228
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
1-cyclopropyl-1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-methylmethanamine
CID 43287604
1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-propylbutan-1-amine
CID 102806859
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-methylpropan-1-amine
CID 43287933

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine (CID 43287611) is 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2cccc(C)c2C)s1.
What is the InChIKey of 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
The InChIKey is YUAHTULEDDRKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-5-12-19-16(6-2)18-11-10-17(20-18)15-9-7-8-13(3)14(15)4/h7-11,16,19H,5-6,12H2,1-4H3.
What are the key properties of 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine?
1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dimethylphenyl)thiophen-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 43287611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).