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

C16H19ClINS — CID 103215285

IUPAC1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H19ClINS/c1-2-8-19-16(6-3-12-7-9-20-11-12)13-4-5-15(18)14(17)10-13/h4-5,7,9-11,16,19H,2-3,6,8H2,1H3
InChIKeyGRJRTLUUUMAFGF-UHFFFAOYSA-N
MW419.76 g/mol
LogP5.68
Rot. Bonds7

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

1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 103215285) has the molecular formula C16H19ClINS and a molecular weight of 419.76 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID103215285
Molecular FormulaC16H19ClINS
Molecular Weight419.76 g/mol
Exact Mass419.00
IUPAC Name1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C16H19ClINS/c1-2-8-19-16(6-3-12-7-9-20-11-12)13-4-5-15(18)14(17)10-13/h4-5,7,9-11,16,19H,2-3,6,8H2,1H3
InChIKeyGRJRTLUUUMAFGF-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.76
LogP ≤ 55.68
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-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
CID 103214498
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine
CID 103214904
1-(3-chloro-4-iodophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 103214795
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
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
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104790467
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 103215285) is 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is GRJRTLUUUMAFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClINS/c1-2-8-19-16(6-3-12-7-9-20-11-12)13-4-5-15(18)14(17)10-13/h4-5,7,9-11,16,19H,2-3,6,8H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 419.76 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 103215285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).