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

C16H20ClNS — CID 63775444

IUPAC1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C16H20ClNS/c1-2-11-18-16(10-9-13-6-5-12-19-13)14-7-3-4-8-15(14)17/h3-8,12,16,18H,2,9-11H2,1H3
InChIKeyQESBRGAEIQZDKC-UHFFFAOYSA-N
MW293.86 g/mol
LogP5.07
Rot. Bonds7

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

1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 63775444) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID63775444
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C16H20ClNS/c1-2-11-18-16(10-9-13-6-5-12-19-13)14-7-3-4-8-15(14)17/h3-8,12,16,18H,2,9-11H2,1H3
InChIKeyQESBRGAEIQZDKC-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.86
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-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-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952
1-(4-chloro-2,5-difluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861199
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702
1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
1-(2-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 105099934
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(2-chlorophenyl)-N-propylpent-4-yn-1-amine
CID 63655900
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 63775444) is 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is QESBRGAEIQZDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-2-11-18-16(10-9-13-6-5-12-19-13)14-7-3-4-8-15(14)17/h3-8,12,16,18H,2,9-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 293.86 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63775444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).