N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine

C15H18INS — CID 65477900

IUPACN-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)c1ccsc1
InChIInChI=1S/C15H18INS/c1-2-8-17-15(13-7-9-18-11-13)10-12-3-5-14(16)6-4-12/h3-7,9,11,15,17H,2,8,10H2,1H3
InChIKeyMMQXJJCVBCCMDA-UHFFFAOYSA-N
MW371.29 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine

N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine (PubChem CID 65477900) has the molecular formula C15H18INS and a molecular weight of 371.29 g/mol. Its IUPAC name is N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
PubChem CID65477900
Molecular FormulaC15H18INS
Molecular Weight371.29 g/mol
Exact Mass371.02
IUPAC NameN-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(I)cc1)c1ccsc1
InChIInChI=1S/C15H18INS/c1-2-8-17-15(13-7-9-18-11-13)10-12-3-5-14(16)6-4-12/h3-7,9,11,15,17H,2,8,10H2,1H3
InChIKeyMMQXJJCVBCCMDA-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 54.64
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

N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[2-(1-ethylpyrazol-4-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62126619
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
N-[1-(3,4-difluorophenyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65478104
N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 55095017
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-[2-(4-iodophenyl)-1-(thiadiazol-4-yl)ethyl]propan-1-amine
CID 105151873
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine (CID 65477900) is N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccc(I)cc1)c1ccsc1.
What is the InChIKey of N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is MMQXJJCVBCCMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INS/c1-2-8-17-15(13-7-9-18-11-13)10-12-3-5-14(16)6-4-12/h3-7,9,11,15,17H,2,8,10H2,1H3.
What are the key properties of N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 371.29 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 65477900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).