2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen

C12H19FN2 — CID 166138415

IUPAC2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen
SMILESCN(C)CCC1CNc2ccc(F)cc21.[H][H]
InChIInChI=1S/C12H17FN2.H2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H
InChIKeyQTIYXQLWVYWFKI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.53
Rot. Bonds3

About 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen

2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen (PubChem CID 166138415) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen
PubChem CID166138415
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen
SMILESCN(C)CCC1CNc2ccc(F)cc21.[H][H]
InChIInChI=1S/C12H17FN2.H2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H
InChIKeyQTIYXQLWVYWFKI-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
N,N-dimethyl-2-[(3R)-5-propan-2-yl-2,3-dihydro-1H-indol-3-yl]ethanamine
CID 169244288
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
CID 50902602
2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen
CID 169244307
N,N-dimethyl-2-(5-pyridin-3-yl-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 169244304
5-fluoro-2,3-dihydro-1H-indol-3-amine
CID 84739506
2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 166138549
O-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]hydroxylamine
CID 117202128
(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl acetate
CID 172766683
6-fluoro-3,4-dimethyl-1,2,3,4-tetrahydroquinoline
CID 84618460
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244473
3-(1,1-difluoroethyl)-5-fluoro-2,3-dihydro-1H-indole
CID 84669875

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen (CID 166138415) is 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen is CN(C)CCC1CNc2ccc(F)cc21.[H][H].
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen?
The InChIKey is QTIYXQLWVYWFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2.H2/c1-15(2)6-5-9-8-14-12-4-3-10(13)7-11(9)12;/h3-4,7,9,14H,5-6,8H2,1-2H3;1H.
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen?
2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen has a molecular weight of 210.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;molecular hydrogen is sourced from PubChem (CID 166138415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).