(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride

C19H24ClFN2O — CID 45139961

IUPAC(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2cc(C)ccc21.Cl
InChIInChI=1S/C19H23FN2O.ClH/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;1H/t18-,19+;/m1./s1
InChIKeyDPNWJTQXCYFUOT-VOMIJIAVSA-N
MW350.87 g/mol
LogP3.24
Rot. Bonds5

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

(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride (PubChem CID 45139961) has the molecular formula C19H24ClFN2O and a molecular weight of 350.87 g/mol. Its IUPAC name is (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride
PubChem CID45139961
Molecular FormulaC19H24ClFN2O
Molecular Weight350.87 g/mol
Exact Mass350.16
IUPAC Name(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2cc(C)ccc21.Cl
InChIInChI=1S/C19H23FN2O.ClH/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;1H/t18-,19+;/m1./s1
InChIKeyDPNWJTQXCYFUOT-VOMIJIAVSA-N
XLogP3.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride (CID 45139961) is (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride is CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2cc(C)ccc21.Cl.
What is the InChIKey of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride?
The InChIKey is DPNWJTQXCYFUOT-VOMIJIAVSA-N. The full InChI is InChI=1S/C19H23FN2O.ClH/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;1H/t18-,19+;/m1./s1.
What are the key properties of (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride?
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(5-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 45139961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).