N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline

C14H15FINS — CID 114258374

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
SMILESCCc1ccc(C(C)Nc2cccc(F)c2I)s1
InChIInChI=1S/C14H15FINS/c1-3-10-7-8-13(18-10)9(2)17-12-6-4-5-11(15)14(12)16/h4-9,17H,3H2,1-2H3
InChIKeyUECWASZUROTRFH-UHFFFAOYSA-N
MW375.25 g/mol
LogP5.23
Rot. Bonds4

About N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline

N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline (PubChem CID 114258374) has the molecular formula C14H15FINS and a molecular weight of 375.25 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
PubChem CID114258374
Molecular FormulaC14H15FINS
Molecular Weight375.25 g/mol
Exact Mass375.00
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
SMILESCCc1ccc(C(C)Nc2cccc(F)c2I)s1
InChIInChI=1S/C14H15FINS/c1-3-10-7-8-13(18-10)9(2)17-12-6-4-5-11(15)14(12)16/h4-9,17H,3H2,1-2H3
InChIKeyUECWASZUROTRFH-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.25
LogP ≤ 55.23
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

2-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-fluoroaniline
CID 107633198
5-[1-(5-ethylthiophen-2-yl)ethylamino]-2,4-difluorobenzoic acid
CID 61335529
3-[1-(5-ethylthiophen-2-yl)ethylamino]-4-fluorobenzoic acid
CID 61335160
3-fluoro-2-iodo-N-pentan-2-ylaniline
CID 130498396
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
2-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-5-(trifluoromethyl)aniline
CID 63418127
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
2,6-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 83078059
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 61333962
methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
CID 62347183
3-fluoro-2-iodo-N-octan-2-ylaniline
CID 114258341

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline (CID 114258374) is N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline is CCc1ccc(C(C)Nc2cccc(F)c2I)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline?
The InChIKey is UECWASZUROTRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINS/c1-3-10-7-8-13(18-10)9(2)17-12-6-4-5-11(15)14(12)16/h4-9,17H,3H2,1-2H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline?
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline has a molecular weight of 375.25 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline is sourced from PubChem (CID 114258374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).