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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Related Compounds

CID 67230442
CID 67230442
CID 67230602
CID 67230602
CID 67230623
CID 67230623
CID 67230934
CID 67230934
CID 67231232
CID 67231232
CID 67231965
CID 67231965
CID 67231967
CID 67231967
CID 68606008
CID 68606008
CID 68761812
CID 68761812
CID 69401793
CID 69401793
CID 87513658
CID 87513658
CID 68758392
CID 68758392

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).