1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C16H20INS — CID 115861151

IUPAC1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1ccc(I)cc1
InChIInChI=1S/C16H20INS/c1-2-11-18-16(10-9-15-4-3-12-19-15)13-5-7-14(17)8-6-13/h3-8,12,16,18H,2,9-11H2,1H3
InChIKeyQHKTYYJDWODUHZ-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.03
Rot. Bonds7

About 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115861151) has the molecular formula C16H20INS and a molecular weight of 385.31 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115861151
Molecular FormulaC16H20INS
Molecular Weight385.31 g/mol
Exact Mass385.04
IUPAC Name1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1cccs1)c1ccc(I)cc1
InChIInChI=1S/C16H20INS/c1-2-11-18-16(10-9-15-4-3-12-19-15)13-5-7-14(17)8-6-13/h3-8,12,16,18H,2,9-11H2,1H3
InChIKeyQHKTYYJDWODUHZ-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860699
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
1-(4,5-dimethylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860668
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
N-propyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81153016
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
1-(6-methyl-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63773530
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
1-(2-methyltriazol-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 112735841
1-(5-bromo-2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860952

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 115861151) is 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNC(CCc1cccs1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is QHKTYYJDWODUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20INS/c1-2-11-18-16(10-9-15-4-3-12-19-15)13-5-7-14(17)8-6-13/h3-8,12,16,18H,2,9-11H2,1H3.
What are the key properties of 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 385.31 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115861151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).