2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine

C12H14F2N2 — CID 164763836

IUPAC2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c(F)[nH]c2ccc(F)cc12
InChIInChI=1S/C12H14F2N2/c1-16(2)6-5-9-10-7-8(13)3-4-11(10)15-12(9)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeyPSWKLEVPMHYJKH-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.55
Rot. Bonds3

About 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine

2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 164763836) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID164763836
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c(F)[nH]c2ccc(F)cc12
InChIInChI=1S/C12H14F2N2/c1-16(2)6-5-9-10-7-8(13)3-4-11(10)15-12(9)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeyPSWKLEVPMHYJKH-UHFFFAOYSA-N
XLogP2.55
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluoro-1H-indol-3-yl]-N,N-dimethylethanamine
CID 16660530
N,N-dimethyl-2-(2,6,7-trifluoro-1H-indol-3-yl)ethanamine
CID 164763830
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide
CID 22611290
2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylethanamine;3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]-N,N-dimethylpropan-1-amine
CID 161100285
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
3-ethyl-5-fluoro-2-methylsulfanyl-1H-indole
CID 146400396
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
1-(3-ethyl-5-fluoro-1H-indol-2-yl)-N-methylmethanamine
CID 84620713
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide
CID 69456536
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine (CID 164763836) is 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1c(F)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is PSWKLEVPMHYJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-16(2)6-5-9-10-7-8(13)3-4-11(10)15-12(9)14/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 164763836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).