N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine

C16H20INS — CID 115803429

IUPACN-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)cc1)c1csc(I)c1
InChIInChI=1S/C16H20INS/c1-3-12-5-7-13(8-6-12)9-15(18-4-2)14-10-16(17)19-11-14/h5-8,10-11,15,18H,3-4,9H2,1-2H3
InChIKeyIJHQCJKDGJOKHR-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.81
Rot. Bonds6

About N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine

N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine (PubChem CID 115803429) has the molecular formula C16H20INS and a molecular weight of 385.31 g/mol. Its IUPAC name is N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
PubChem CID115803429
Molecular FormulaC16H20INS
Molecular Weight385.31 g/mol
Exact Mass385.04
IUPAC NameN-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)cc1)c1csc(I)c1
InChIInChI=1S/C16H20INS/c1-3-12-5-7-13(8-6-12)9-15(18-4-2)14-10-16(17)19-11-14/h5-8,10-11,15,18H,3-4,9H2,1-2H3
InChIKeyIJHQCJKDGJOKHR-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.81
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-ethyl-1-(5-iodothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 79693155
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 79693438
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
2-(2,5-dichlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115863174
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 106867253
(4-ethylphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684538
N-ethyl-1-(5-iodothiophen-3-yl)-5-methylhexan-1-amine
CID 105028853
[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105296570
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843418
N-ethyl-1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanamine
CID 65104859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine (CID 115803429) is N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine is CCNC(Cc1ccc(CC)cc1)c1csc(I)c1.
What is the InChIKey of N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine?
The InChIKey is IJHQCJKDGJOKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20INS/c1-3-12-5-7-13(8-6-12)9-15(18-4-2)14-10-16(17)19-11-14/h5-8,10-11,15,18H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine?
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine has a molecular weight of 385.31 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine is sourced from PubChem (CID 115803429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).