2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine

C13H18FIN2 — CID 79861884

IUPAC2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESCC1(C)CCCC1Nc1cc(F)c(I)cc1N
InChIInChI=1S/C13H18FIN2/c1-13(2)5-3-4-12(13)17-11-6-8(14)9(15)7-10(11)16/h6-7,12,17H,3-5,16H2,1-2H3
InChIKeyLGEGTNLABPQEJI-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.00
Rot. Bonds2

About 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine

2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine (PubChem CID 79861884) has the molecular formula C13H18FIN2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine
PubChem CID79861884
Molecular FormulaC13H18FIN2
Molecular Weight348.20 g/mol
Exact Mass348.05
IUPAC Name2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine
SMILESCC1(C)CCCC1Nc1cc(F)c(I)cc1N
InChIInChI=1S/C13H18FIN2/c1-13(2)5-3-4-12(13)17-11-6-8(14)9(15)7-10(11)16/h6-7,12,17H,3-5,16H2,1-2H3
InChIKeyLGEGTNLABPQEJI-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.00
H-Bond Donors ≤ 52
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-2-N-(2,2-dimethylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 116736105
1-N-(2,2-dimethylcyclohexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 79861652
2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100112
1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 79860994
1-N-(2,2-dimethylcyclohexyl)-2-iodobenzene-1,4-diamine
CID 79860905
7-amino-6-[(2,2-dimethylcyclopentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 79861240
[1-(2-amino-5-fluoro-4-iodoanilino)-3-methylcyclohexyl]methanol
CID 66101096
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
5-bromo-N-(2,2-dimethylcyclohexyl)-2,4-difluoroaniline
CID 102853156
N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
CID 79860481
N-(2,2-dimethylcyclopentyl)-2-fluoro-4-(trifluoromethyl)aniline
CID 107303636
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The IUPAC name of 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine (CID 79861884) is 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine is CC1(C)CCCC1Nc1cc(F)c(I)cc1N.
What is the InChIKey of 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine?
The InChIKey is LGEGTNLABPQEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FIN2/c1-13(2)5-3-4-12(13)17-11-6-8(14)9(15)7-10(11)16/h6-7,12,17H,3-5,16H2,1-2H3.
What are the key properties of 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine?
2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine has a molecular weight of 348.20 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylcyclopentyl)-4-fluoro-5-iodobenzene-1,2-diamine is sourced from PubChem (CID 79861884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).