1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

C16H19Cl2NS — CID 81491853

IUPAC1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2NS/c1-2-8-19-16(6-3-12-7-9-20-11-12)13-4-5-14(17)15(18)10-13/h4-5,7,9-11,16,19H,2-3,6,8H2,1H3
InChIKeyQCMQJILJQAEMNJ-UHFFFAOYSA-N
MW328.31 g/mol
LogP5.73
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine

1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 81491853) has the molecular formula C16H19Cl2NS and a molecular weight of 328.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID81491853
Molecular FormulaC16H19Cl2NS
Molecular Weight328.31 g/mol
Exact Mass327.06
IUPAC Name1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2NS/c1-2-8-19-16(6-3-12-7-9-20-11-12)13-4-5-14(17)15(18)10-13/h4-5,7,9-11,16,19H,2-3,6,8H2,1H3
InChIKeyQCMQJILJQAEMNJ-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.31
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103215285
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
1-(3-chloro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103444845
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(5-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857164
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475621
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 81491853) is 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is QCMQJILJQAEMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NS/c1-2-8-19-16(6-3-12-7-9-20-11-12)13-4-5-14(17)15(18)10-13/h4-5,7,9-11,16,19H,2-3,6,8H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 328.31 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 81491853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).