2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine

C15H16FIN2 — CID 66099523

IUPAC2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCCN(c1ccc(C)cc1)c1cc(F)c(I)cc1N
InChIInChI=1S/C15H16FIN2/c1-3-19(11-6-4-10(2)5-7-11)15-8-12(16)13(17)9-14(15)18/h4-9H,3,18H2,1-2H3
InChIKeyXBVPRRCLIMVTAV-UHFFFAOYSA-N
MW370.21 g/mol
LogP4.48
Rot. Bonds3

About 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine

2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine (PubChem CID 66099523) has the molecular formula C15H16FIN2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
PubChem CID66099523
Molecular FormulaC15H16FIN2
Molecular Weight370.21 g/mol
Exact Mass370.03
IUPAC Name2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCCN(c1ccc(C)cc1)c1cc(F)c(I)cc1N
InChIInChI=1S/C15H16FIN2/c1-3-19(11-6-4-10(2)5-7-11)15-8-12(16)13(17)9-14(15)18/h4-9H,3,18H2,1-2H3
InChIKeyXBVPRRCLIMVTAV-UHFFFAOYSA-N
XLogP4.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 66110346
3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 63062743
1-N-ethyl-2-methyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 62003547
4-amino-3-(N-ethyl-4-methylanilino)benzenesulfonamide
CID 82900395
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
2-amino-6-(N-ethyl-4-methylanilino)-3-fluorobenzoic acid
CID 83207079
4-(N-ethyl-4-methylanilino)-3-fluorobenzonitrile
CID 63511993
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
CID 107926166
1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
CID 28809952
2-N-(2,2-dimethylpropyl)-4-fluoro-5-iodo-2-N-methylbenzene-1,2-diamine
CID 66102264
4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
CID 66101051
4-N-ethyl-4-N-(4-methylphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 62003379

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine (CID 66099523) is 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine is CCN(c1ccc(C)cc1)c1cc(F)c(I)cc1N.
What is the InChIKey of 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine?
The InChIKey is XBVPRRCLIMVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FIN2/c1-3-19(11-6-4-10(2)5-7-11)15-8-12(16)13(17)9-14(15)18/h4-9H,3,18H2,1-2H3.
What are the key properties of 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine?
2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine has a molecular weight of 370.21 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 66099523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).