2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine

C13H19FN2 — CID 169244302

IUPAC2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1(C)CNc2cccc(F)c21
InChIInChI=1S/C13H19FN2/c1-13(7-8-16(2)3)9-15-11-6-4-5-10(14)12(11)13/h4-6,15H,7-9H2,1-3H3
InChIKeyIGJWAMLXDHYUSW-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.46
Rot. Bonds3

About 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine

2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine (PubChem CID 169244302) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine
PubChem CID169244302
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCC1(C)CNc2cccc(F)c21
InChIInChI=1S/C13H19FN2/c1-13(7-8-16(2)3)9-15-11-6-4-5-10(14)12(11)13/h4-6,15H,7-9H2,1-3H3
InChIKeyIGJWAMLXDHYUSW-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(3-methyl-1,2-dihydroindol-3-yl)ethanamine;ethane
CID 143140765
N,N-dimethyl-2-(4,5,6-trimethoxy-3-methyl-1,2-dihydroindol-3-yl)ethanamine
CID 166138554
4,5-difluoro-4-methyl-2,3-dihydro-1H-quinoline
CID 84718702
1-[3-[2-(dimethylamino)ethyl]-1,2-dihydroindol-3-yl]-N-methylmethanesulfonamide
CID 19711219
2-(6,7-dimethoxy-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine
CID 166138311
4-fluoro-2,2-dimethyl-1,3-dihydroindole
CID 84717067
4,5-difluoro-3,3-dimethyl-1,2-dihydroindole
CID 58386473
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508
5-fluoro-1,4-dihydro-3,1-benzoxazine-2-thione
CID 84768966
3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 80503717
5-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097649
N,N,3-trimethyl-1,2-dihydroindol-3-amine
CID 174390026

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine (CID 169244302) is 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine is CN(C)CCC1(C)CNc2cccc(F)c21.
What is the InChIKey of 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is IGJWAMLXDHYUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(7-8-16(2)3)9-15-11-6-4-5-10(14)12(11)13/h4-6,15H,7-9H2,1-3H3.
What are the key properties of 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine?
2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methyl-1,2-dihydroindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 169244302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).