1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine

C18H24N2S — CID 62133189

IUPAC1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
SMILESCc1ccsc1C(C(C)N)N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H24N2S/c1-13-9-11-21-18(13)17(14(2)19)20-10-8-16(12-20)15-6-4-3-5-7-15/h3-7,9,11,14,16-17H,8,10,12,19H2,1-2H3
InChIKeyJDOQTAQAQOREAB-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.93
Rot. Bonds4

About 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine

1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine (PubChem CID 62133189) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
PubChem CID62133189
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
SMILESCc1ccsc1C(C(C)N)N1CCC(c2ccccc2)C1
InChIInChI=1S/C18H24N2S/c1-13-9-11-21-18(13)17(14(2)19)20-10-8-16(12-20)15-6-4-3-5-7-15/h3-7,9,11,14,16-17H,8,10,12,19H2,1-2H3
InChIKeyJDOQTAQAQOREAB-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine (CID 62133189) is 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine is Cc1ccsc1C(C(C)N)N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine?
The InChIKey is JDOQTAQAQOREAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13-9-11-21-18(13)17(14(2)19)20-10-8-16(12-20)15-6-4-3-5-7-15/h3-7,9,11,14,16-17H,8,10,12,19H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine?
1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine is sourced from PubChem (CID 62133189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).