1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol

C19H23FN2O — CID 11652581

IUPAC1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol
SMILESCNCC(O)C(c1cccc(F)c1)N1CCc2cc(C)ccc21
InChIInChI=1S/C19H23FN2O/c1-13-6-7-17-14(10-13)8-9-22(17)19(18(23)12-21-2)15-4-3-5-16(20)11-15/h3-7,10-11,18-19,21,23H,8-9,12H2,1-2H3
InChIKeyQXSRSFIVYBKICM-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.82
Rot. Bonds5

About 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol

1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol (PubChem CID 11652581) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol
PubChem CID11652581
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol
SMILESCNCC(O)C(c1cccc(F)c1)N1CCc2cc(C)ccc21
InChIInChI=1S/C19H23FN2O/c1-13-6-7-17-14(10-13)8-9-22(17)19(18(23)12-21-2)15-4-3-5-16(20)11-15/h3-7,10-11,18-19,21,23H,8-9,12H2,1-2H3
InChIKeyQXSRSFIVYBKICM-UHFFFAOYSA-N
XLogP2.82
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-(5-chloro-2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45139964
1-(3-fluorophenyl)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 11616644
(1S,2R)-1-(7-fluoro-2,3-dihydroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 69458999
(1S,2R)-1-(3-ethyl-2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 45139783
(1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
CID 68903082
(2S,3S)-3-(3,5-difluorophenyl)-3-(2,3-dihydroindol-1-yl)propane-1,2-diol
CID 68906969
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(4-methylindol-1-yl)propan-2-ol
CID 45483063
1-(5-chloroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906067
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(3-propan-2-ylindol-1-yl)propan-2-ol
CID 25253859
(1S,2R)-1-(3-fluorophenyl)-1-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)-3-(methylamino)propan-2-ol
CID 58837434
2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine
CID 103503159

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol (CID 11652581) is 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol is CNCC(O)C(c1cccc(F)c1)N1CCc2cc(C)ccc21.
What is the InChIKey of 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol?
The InChIKey is QXSRSFIVYBKICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-13-6-7-17-14(10-13)8-9-22(17)19(18(23)12-21-2)15-4-3-5-16(20)11-15/h3-7,10-11,18-19,21,23H,8-9,12H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol?
1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol has a molecular weight of 314.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol is sourced from PubChem (CID 11652581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).