(1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane

C19H25ClN2OS — CID 162035032

IUPAC(1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane
SMILESC.CNC[C@@H](O)[C@H](c1ccccc1Cl)n1ccc2ccccc21.S
InChIInChI=1S/C18H19ClN2O.CH4.H2S/c1-20-12-17(22)18(14-7-3-4-8-15(14)19)21-11-10-13-6-2-5-9-16(13)21;;/h2-11,17-18,20,22H,12H2,1H3;1H4;1H2/t17-,18+;;/m1../s1
InChIKeyYWNNPGYCHIVKOA-WCRQIBMVSA-N
MW364.94 g/mol
LogP4.21
Rot. Bonds5

About (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane

(1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane (PubChem CID 162035032) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane.

Molecular Properties

Compound Name(1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane
PubChem CID162035032
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC Name(1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane
SMILESC.CNC[C@@H](O)[C@H](c1ccccc1Cl)n1ccc2ccccc21.S
InChIInChI=1S/C18H19ClN2O.CH4.H2S/c1-20-12-17(22)18(14-7-3-4-8-15(14)19)21-11-10-13-6-2-5-9-16(13)21;;/h2-11,17-18,20,22H,12H2,1H3;1H4;1H2/t17-,18+;;/m1../s1
InChIKeyYWNNPGYCHIVKOA-WCRQIBMVSA-N
XLogP4.21
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane with MolForge

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Related Compounds

1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 11688248
(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
CID 45483087
(1R,2R)-1-indol-1-yl-3-(methylamino)-1-phenylpropan-2-ol;hydrochloride
CID 68906230
(1S,2R)-1-(3-fluorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;hydrochloride
CID 68907902
(1S,2R)-1-indol-1-yl-1-(3-methoxyphenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 68904895
1-[(2-chlorophenyl)-indol-1-ylmethyl]indole
CID 134133187
(1R,2S)-1-indol-1-yl-3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906584
1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 11659404
1-(6-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 68903649
(1S,2S)-1-(5-fluoroindol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45486630
2-chloro-N-[1-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]indol-5-yl]benzamide
CID 141172289
(1S,2R)-1-indol-1-yl-3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906806

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane?
The IUPAC name of (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane (CID 162035032) is (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane.
What is the SMILES notation for (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane?
The canonical SMILES for (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane is C.CNC[C@@H](O)[C@H](c1ccccc1Cl)n1ccc2ccccc21.S.
What is the InChIKey of (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane?
The InChIKey is YWNNPGYCHIVKOA-WCRQIBMVSA-N. The full InChI is InChI=1S/C18H19ClN2O.CH4.H2S/c1-20-12-17(22)18(14-7-3-4-8-15(14)19)21-11-10-13-6-2-5-9-16(13)21;;/h2-11,17-18,20,22H,12H2,1H3;1H4;1H2/t17-,18+;;/m1../s1.
What are the key properties of (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane?
(1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane has a molecular weight of 364.94 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(2-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol;methane;sulfane is sourced from PubChem (CID 162035032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).