(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride

C19H23ClN2O — CID 68906029

IUPAC(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(C)ccc21.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-14-8-9-17-16(12-14)10-11-21(17)19(18(22)13-20-2)15-6-4-3-5-7-15;/h3-12,18-20,22H,13H2,1-2H3;1H/t18-,19+;/m1./s1
InChIKeyVODJMFGCBRRJLH-VOMIJIAVSA-N
MW330.86 g/mol
LogP3.54
Rot. Bonds5

About (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride

(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride (PubChem CID 68906029) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
PubChem CID68906029
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(C)ccc21.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-14-8-9-17-16(12-14)10-11-21(17)19(18(22)13-20-2)15-6-4-3-5-7-15;/h3-12,18-20,22H,13H2,1-2H3;1H/t18-,19+;/m1./s1
InChIKeyVODJMFGCBRRJLH-VOMIJIAVSA-N
XLogP3.54
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Indole, 14
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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride (CID 68906029) is (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride is CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cc(C)ccc21.Cl.
What is the InChIKey of (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride?
The InChIKey is VODJMFGCBRRJLH-VOMIJIAVSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-14-8-9-17-16(12-14)10-11-21(17)19(18(22)13-20-2)15-6-4-3-5-7-15;/h3-12,18-20,22H,13H2,1-2H3;1H/t18-,19+;/m1./s1.
What are the key properties of (1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride?
(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.54, 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-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 68906029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).