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

C16H20ClNS — CID 79443388

IUPAC2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNCC(Cc1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClNS/c1-2-7-18-11-15(9-13-6-8-19-12-13)14-4-3-5-16(17)10-14/h3-6,8,10,12,15,18H,2,7,9,11H2,1H3
InChIKeyZEQTVBVAZZCGRR-UHFFFAOYSA-N
MW293.86 g/mol
LogP4.73
Rot. Bonds7

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

2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 79443388) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID79443388
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNCC(Cc1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C16H20ClNS/c1-2-7-18-11-15(9-13-6-8-19-12-13)14-4-3-5-16(17)10-14/h3-6,8,10,12,15,18H,2,7,9,11H2,1H3
InChIKeyZEQTVBVAZZCGRR-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79438121
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652
2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443167
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240
2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
1-(3-chlorophenyl)sulfanyl-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 66145811
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 79443388) is 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNCC(Cc1ccsc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is ZEQTVBVAZZCGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-2-7-18-11-15(9-13-6-8-19-12-13)14-4-3-5-16(17)10-14/h3-6,8,10,12,15,18H,2,7,9,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 293.86 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 79443388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).