N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine

C16H20INS — CID 43288049

IUPACN-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2ccccc2I)s1
InChIInChI=1S/C16H20INS/c1-3-7-14(18-4-2)16-11-10-15(19-16)12-8-5-6-9-13(12)17/h5-6,8-11,14,18H,3-4,7H2,1-2H3
InChIKeyNYNRNZXEUVZNKE-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.47
Rot. Bonds6

About N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine

N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine (PubChem CID 43288049) has the molecular formula C16H20INS and a molecular weight of 385.31 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
PubChem CID43288049
Molecular FormulaC16H20INS
Molecular Weight385.31 g/mol
Exact Mass385.04
IUPAC NameN-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(NCC)c1ccc(-c2ccccc2I)s1
InChIInChI=1S/C16H20INS/c1-3-7-14(18-4-2)16-11-10-15(19-16)12-8-5-6-9-13(12)17/h5-6,8-11,14,18H,3-4,7H2,1-2H3
InChIKeyNYNRNZXEUVZNKE-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.47
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-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43154404
N-ethyl-1-[5-(3-fluoro-2-methylphenyl)thiophen-2-yl]butan-1-amine
CID 63400867
N-ethyl-1-[5-(4-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287471
N-ethyl-1-[5-(4-ethylphenyl)thiophen-2-yl]butan-1-amine
CID 43287717
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
N-ethyl-1-(5-phenylthiophen-2-yl)propan-1-amine
CID 43288007
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586232
1-[5-(2,3-dihydro-1H-inden-5-yl)thiophen-2-yl]-N-ethylbutan-1-amine
CID 43287744
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287928
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 43288275
1-[5-(5-chloro-2-fluorophenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43438630
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine (CID 43288049) is N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine is CCCC(NCC)c1ccc(-c2ccccc2I)s1.
What is the InChIKey of N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine?
The InChIKey is NYNRNZXEUVZNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20INS/c1-3-7-14(18-4-2)16-11-10-15(19-16)12-8-5-6-9-13(12)17/h5-6,8-11,14,18H,3-4,7H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine?
N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine has a molecular weight of 385.31 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 43288049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).