(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride

C19H23ClN2O2 — CID 68904895

IUPAC(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1cccc(OC)c1)n1ccc2ccccc21.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-20-13-18(22)19(15-7-5-8-16(12-15)23-2)21-11-10-14-6-3-4-9-17(14)21;/h3-12,18-20,22H,13H2,1-2H3;1H/t18-,19+;/m1./s1
InChIKeyFZGYKPVPLCCXSH-VOMIJIAVSA-N
MW346.86 g/mol
LogP3.24
Rot. Bonds6

About (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride

(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride (PubChem CID 68904895) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
PubChem CID68904895
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
SMILESCNC[C@@H](O)[C@H](c1cccc(OC)c1)n1ccc2ccccc21.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-20-13-18(22)19(15-7-5-8-16(12-15)23-2)21-11-10-14-6-3-4-9-17(14)21;/h3-12,18-20,22H,13H2,1-2H3;1H/t18-,19+;/m1./s1
InChIKeyFZGYKPVPLCCXSH-VOMIJIAVSA-N
XLogP3.24
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 68906230
(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 45483087
(1R,2S)-1-indol-1-yl-3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906584
(1S,2R)-3-(methylamino)-1-(5-methylindol-1-yl)-1-phenylpropan-2-ol;hydrochloride
CID 68906029
1-(4-methoxyindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11645255
(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45486630
1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 11688248
(1S,2R)-1-(3-fluorophenyl)-1-(5-methoxypyrrolo[2,3-c]pyridin-1-yl)-3-(methylamino)propan-2-ol
CID 58837434
1-(5-chloroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 68906067
methane;(1S,2R)-3-(methylamino)-1-phenyl-1-[5-(2-phenylethoxy)indol-1-yl]propan-2-ol;sulfane
CID 157086030
(1S,2R)-1-(4-aminoindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 89197356

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride (CID 68904895) is (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride is CNC[C@@H](O)[C@H](c1cccc(OC)c1)n1ccc2ccccc21.Cl.
What is the InChIKey of (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride?
The InChIKey is FZGYKPVPLCCXSH-VOMIJIAVSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-20-13-18(22)19(15-7-5-8-16(12-15)23-2)21-11-10-14-6-3-4-9-17(14)21;/h3-12,18-20,22H,13H2,1-2H3;1H/t18-,19+;/m1./s1.
What are the key properties of (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride?
(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 68904895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).