N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine

C13H17FN2 — CID 174362793

IUPACN-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1=CC=C2C(F)=CC=C2C1
InChIInChI=1S/C13H17FN2/c1-16(2)8-7-15-11-4-5-12-10(9-11)3-6-13(12)14/h3-6,15H,7-9H2,1-2H3
InChIKeyDSBJMIUMZPIUQN-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.14
Rot. Bonds4

About N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine

N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 174362793) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID174362793
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1=CC=C2C(F)=CC=C2C1
InChIInChI=1S/C13H17FN2/c1-16(2)8-7-15-11-4-5-12-10(9-11)3-6-13(12)14/h3-6,15H,7-9H2,1-2H3
InChIKeyDSBJMIUMZPIUQN-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine (CID 174362793) is N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1=CC=C2C(F)=CC=C2C1.
What is the InChIKey of N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is DSBJMIUMZPIUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-16(2)8-7-15-11-4-5-12-10(9-11)3-6-13(12)14/h3-6,15H,7-9H2,1-2H3.
What are the key properties of N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 220.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 174362793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).