1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine

C17H23NS — CID 55094049

IUPAC1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-3-8-18-17(12-16-7-9-19-13-16)11-15-6-4-5-14(2)10-15/h4-7,9-10,13,17-18H,3,8,11-12H2,1-2H3
InChIKeyHWMHGNGEALLBGO-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.21
Rot. Bonds7

About 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine

1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 55094049) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
PubChem CID55094049
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
SMILESCCCNC(Cc1ccsc1)Cc1cccc(C)c1
InChIInChI=1S/C17H23NS/c1-3-8-18-17(12-16-7-9-19-13-16)11-15-6-4-5-14(2)10-15/h4-7,9-10,13,17-18H,3,8,11-12H2,1-2H3
InChIKeyHWMHGNGEALLBGO-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-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-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine (CID 55094049) is 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine is CCCNC(Cc1ccsc1)Cc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is HWMHGNGEALLBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-3-8-18-17(12-16-7-9-19-13-16)11-15-6-4-5-14(2)10-15/h4-7,9-10,13,17-18H,3,8,11-12H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine?
1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 273.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 55094049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).