1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine

C13H17FN2 — CID 174362794

IUPAC1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine
SMILESCC(NC1=CC=C2C(F)=CC=C2C1)N(C)C
InChIInChI=1S/C13H17FN2/c1-9(16(2)3)15-11-5-6-12-10(8-11)4-7-13(12)14/h4-7,9,15H,8H2,1-3H3
InChIKeyDSUMSGAHXCVTKN-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.49
Rot. Bonds3

About 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine

1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine (PubChem CID 174362794) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine
PubChem CID174362794
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine
SMILESCC(NC1=CC=C2C(F)=CC=C2C1)N(C)C
InChIInChI=1S/C13H17FN2/c1-9(16(2)3)15-11-5-6-12-10(8-11)4-7-13(12)14/h4-7,9,15H,8H2,1-3H3
InChIKeyDSUMSGAHXCVTKN-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
1-N'-[1-[(6Z)-6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienylidene]-4-fluoro-5-methylidenecyclohexa-1,3-dien-1-yl]ethenyl]propane-1,1-diamine
CID 156075533
5,5,6-trifluoro-2-methyl-3-N-[(Z)-3-(methylamino)prop-1-enyl]-3H-cyclopenta[c]pyridine-3,7-diamine
CID 156450814
5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine
CID 167204973
N-methyl-4-[(3-methylimidazolidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 170073235
N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 174362793
3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine
CID 176962601
3-(Cyclohexen-1-yl)-2-methyl-1,2,6,7-tetrahydrobenzimidazole
CID 70856813
2,3-Di(cyclohexa-1,3-dien-1-yl)-7-methyl-1,2,6,7-tetrahydrobenzimidazole
CID 70856818
3-(Cyclohexen-1-yl)-2-methyl-1,2,4,5-tetrahydrobenzimidazole
CID 70856829
2-Cyclohexa-1,3-dien-1-yl-3-methyl-1,2,4,5,6,7-hexahydrobenzimidazole
CID 70856849
2-Cyclohexa-1,3-dien-1-yl-3-methyl-1,2,4,5-tetrahydrobenzimidazole
CID 70856858

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine?
The IUPAC name of 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine (CID 174362794) is 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine is CC(NC1=CC=C2C(F)=CC=C2C1)N(C)C.
What is the InChIKey of 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine?
The InChIKey is DSUMSGAHXCVTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-9(16(2)3)15-11-5-6-12-10(8-11)4-7-13(12)14/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine?
1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine has a molecular weight of 220.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine is sourced from PubChem (CID 174362794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).