1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine

C14H18FN — CID 122576268

IUPAC1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESC[C@H]1c2cc(F)ccc2C[C@@H]1N1CCCC1
InChIInChI=1S/C14H18FN/c1-10-13-9-12(15)5-4-11(13)8-14(10)16-6-2-3-7-16/h4-5,9-10,14H,2-3,6-8H2,1H3/t10-,14-/m0/s1
InChIKeyCTVRWLYJZLMESY-HZMBPMFUSA-N
MW219.30 g/mol
LogP2.95
Rot. Bonds1

About 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine

1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (PubChem CID 122576268) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
PubChem CID122576268
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine
SMILESC[C@H]1c2cc(F)ccc2C[C@@H]1N1CCCC1
InChIInChI=1S/C14H18FN/c1-10-13-9-12(15)5-4-11(13)8-14(10)16-6-2-3-7-16/h4-5,9-10,14H,2-3,6-8H2,1H3/t10-,14-/m0/s1
InChIKeyCTVRWLYJZLMESY-HZMBPMFUSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Di-n-propylaminoindan
CID 130402
2-Fluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (24)
CID 129012324
2,4-Difluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (27)
CID 129012327
[3-(3,4-Difluoro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543785
[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-dimethyl-amine
CID 13543854
N-buta-2,3-dienyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 44265559
3-(9H-fluoren-9-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 44405845
3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260254
6-fluoro-3-(4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260285
3-(3,4-difluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260356
2-(2,3-dihydro-1H-inden-1-yl)-N,N-dimethylethanamine
CID 44375004
Pyrrolidine, 1-(2,3-dihydro-1H-inden-2-yl)-
CID 206203

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The IUPAC name of 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine (CID 122576268) is 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The canonical SMILES for 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is C[C@H]1c2cc(F)ccc2C[C@@H]1N1CCCC1.
What is the InChIKey of 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
The InChIKey is CTVRWLYJZLMESY-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H18FN/c1-10-13-9-12(15)5-4-11(13)8-14(10)16-6-2-3-7-16/h4-5,9-10,14H,2-3,6-8H2,1H3/t10-,14-/m0/s1.
What are the key properties of 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine?
1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine has a molecular weight of 219.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-6-fluoro-1-methyl-2,3-dihydro-1H-inden-2-yl]pyrrolidine is sourced from PubChem (CID 122576268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).