2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline

C15H14F2IN — CID 82816580

IUPAC2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline
SMILESCc1ccc(F)c(NC(C)c2ccc(I)cc2)c1F
InChIInChI=1S/C15H14F2IN/c1-9-3-8-13(16)15(14(9)17)19-10(2)11-4-6-12(18)7-5-11/h3-8,10,19H,1-2H3
InChIKeyYJSLGUAZJFWGSS-UHFFFAOYSA-N
MW373.18 g/mol
LogP5.05
Rot. Bonds3

About 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline

2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline (PubChem CID 82816580) has the molecular formula C15H14F2IN and a molecular weight of 373.18 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline
PubChem CID82816580
Molecular FormulaC15H14F2IN
Molecular Weight373.18 g/mol
Exact Mass373.01
IUPAC Name2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline
SMILESCc1ccc(F)c(NC(C)c2ccc(I)cc2)c1F
InChIInChI=1S/C15H14F2IN/c1-9-3-8-13(16)15(14(9)17)19-10(2)11-4-6-12(18)7-5-11/h3-8,10,19H,1-2H3
InChIKeyYJSLGUAZJFWGSS-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.18
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,6-difluoro-3-methylanilino)ethyl]benzonitrile
CID 82818775
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82819096
3,4-difluoro-N-[1-(4-iodophenyl)ethyl]aniline
CID 43761590
2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
CID 82818122
2,6-difluoro-N-[1-(3-methoxyphenyl)ethyl]-3-methylaniline
CID 82818464
2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82818453
2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 82818791
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-difluoro-3-methylaniline
CID 107354512

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline?
The IUPAC name of 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline (CID 82816580) is 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline.
What is the SMILES notation for 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline?
The canonical SMILES for 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline is Cc1ccc(F)c(NC(C)c2ccc(I)cc2)c1F.
What is the InChIKey of 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline?
The InChIKey is YJSLGUAZJFWGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2IN/c1-9-3-8-13(16)15(14(9)17)19-10(2)11-4-6-12(18)7-5-11/h3-8,10,19H,1-2H3.
What are the key properties of 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline?
2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline has a molecular weight of 373.18 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 82816580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).