(1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride

C19H25ClN2O — CID 68903082

IUPAC(1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
SMILESCNC[C@@H](O)C(c1ccccc1)N1CCc2cccc(C)c21.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14-7-6-10-16-11-12-21(18(14)16)19(17(22)13-20-2)15-8-4-3-5-9-15;/h3-10,17,19-20,22H,11-13H2,1-2H3;1H/t17-,19?;/m1./s1
InChIKeyBIJIQGIXGCRVKG-OWXCZVATSA-N
MW332.88 g/mol
LogP3.10
Rot. Bonds5

About (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride

(1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 68903082) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
PubChem CID68903082
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name(1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
SMILESCNC[C@@H](O)C(c1ccccc1)N1CCc2cccc(C)c21.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14-7-6-10-16-11-12-21(18(14)16)19(17(22)13-20-2)15-8-4-3-5-9-15;/h3-10,17,19-20,22H,11-13H2,1-2H3;1H/t17-,19?;/m1./s1
InChIKeyBIJIQGIXGCRVKG-OWXCZVATSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride (CID 68903082) is (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride is CNC[C@@H](O)C(c1ccccc1)N1CCc2cccc(C)c21.Cl.
What is the InChIKey of (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is BIJIQGIXGCRVKG-OWXCZVATSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-14-7-6-10-16-11-12-21(18(14)16)19(17(22)13-20-2)15-8-4-3-5-9-15;/h3-10,17,19-20,22H,11-13H2,1-2H3;1H/t17-,19?;/m1./s1.
What are the key properties of (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride?
(1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-(methylamino)-1-(7-methyl-2,3-dihydroindol-1-yl)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 68903082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).