N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

C14H20FN3 — CID 68609050

IUPACN-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C14H20FN3/c1-18(2)8-7-16-6-5-11-10-17-14-4-3-12(15)9-13(11)14/h3,9-10,16H,4-8H2,1-2H3
InChIKeyIYDHOWUXYBBCOY-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 68609050) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID68609050
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCCC1=CN=C2CC=C(F)C=C12
InChIInChI=1S/C14H20FN3/c1-18(2)8-7-16-6-5-11-10-17-14-4-3-12(15)9-13(11)14/h3,9-10,16H,4-8H2,1-2H3
InChIKeyIYDHOWUXYBBCOY-UHFFFAOYSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 68609050) is N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCCC1=CN=C2CC=C(F)C=C12.
What is the InChIKey of N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is IYDHOWUXYBBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-18(2)8-7-16-6-5-11-10-17-14-4-3-12(15)9-13(11)14/h3,9-10,16H,4-8H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 249.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 68609050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).