(2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane

C98H152N8O11 — CID 157483058

IUPAC(2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane
SMILESC.C.C=Cc1cccc(C)c1.C[C@@H](O)CN.C[C@H](O)CN.Cc1cccc(C(O)CNC[C@@H](C)O)c1.Cc1cccc(C(O)CNC[C@H](C)O)c1.Cc1cccc(C2CNC[C@@H](C)O2)c1.Cc1cccc(C2CNC[C@H](C)O2)c1.Cc1cccc(C2CO2)c1.Cc1cccc([C@@H]2CNC[C@@H](C)O2)c1.Cc1cccc([C@@H]2CNC[C@H](C)O2)c1
InChIInChI=1S/2C12H19NO2.4C12H17NO.C9H10O.C9H10.2C3H9NO.2CH4/c2*1-9-4-3-5-11(6-9)12(15)8-13-7-10(2)14;4*1-9-4-3-5-11(6-9)12-8-13-7-10(2)14-12;1-7-3-2-4-8(5-7)9-6-10-9;1-3-9-6-4-5-8(2)7-9;2*1-3(5)2-4;;/h2*3-6,10,12-15H,7-8H2,1-2H3;4*3-6,10,12-13H,7-8H2,1-2H3;2-5,9H,6H2,1H3;3-7H,1H2,2H3;2*3,5H,2,4H2,1H3;2*1H4/t4*10-,12?;10-,12+;10-,12-;;;2*3-;;/m101010..10../s1
InChIKeyBWJPQOLZLBLMIA-VGTBAIBXSA-N
MW1618.34 g/mol
LogP14.80
Rot. Bonds18

About (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane

(2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane (PubChem CID 157483058) has the molecular formula C98H152N8O11 and a molecular weight of 1618.34 g/mol. Its IUPAC name is (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane.

Molecular Properties

Compound Name(2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane
PubChem CID157483058
Molecular FormulaC98H152N8O11
Molecular Weight1618.34 g/mol
Exact Mass1617.16
IUPAC Name(2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane
SMILESC.C.C=Cc1cccc(C)c1.C[C@@H](O)CN.C[C@H](O)CN.Cc1cccc(C(O)CNC[C@@H](C)O)c1.Cc1cccc(C(O)CNC[C@H](C)O)c1.Cc1cccc(C2CNC[C@@H](C)O2)c1.Cc1cccc(C2CNC[C@H](C)O2)c1.Cc1cccc(C2CO2)c1.Cc1cccc([C@@H]2CNC[C@@H](C)O2)c1.Cc1cccc([C@@H]2CNC[C@H](C)O2)c1
InChIInChI=1S/2C12H19NO2.4C12H17NO.C9H10O.C9H10.2C3H9NO.2CH4/c2*1-9-4-3-5-11(6-9)12(15)8-13-7-10(2)14;4*1-9-4-3-5-11(6-9)12-8-13-7-10(2)14-12;1-7-3-2-4-8(5-7)9-6-10-9;1-3-9-6-4-5-8(2)7-9;2*1-3(5)2-4;;/h2*3-6,10,12-15H,7-8H2,1-2H3;4*3-6,10,12-13H,7-8H2,1-2H3;2-5,9H,6H2,1H3;3-7H,1H2,2H3;2*3,5H,2,4H2,1H3;2*1H4/t4*10-,12?;10-,12+;10-,12-;;;2*3-;;/m101010..10../s1
InChIKeyBWJPQOLZLBLMIA-VGTBAIBXSA-N
XLogP14.80
TPSA295.05 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001618.34
LogP ≤ 514.80
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane?
The IUPAC name of (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane (CID 157483058) is (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane.
What is the SMILES notation for (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane?
The canonical SMILES for (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane is C.C.C=Cc1cccc(C)c1.C[C@@H](O)CN.C[C@H](O)CN.Cc1cccc(C(O)CNC[C@@H](C)O)c1.Cc1cccc(C(O)CNC[C@H](C)O)c1.Cc1cccc(C2CNC[C@@H](C)O2)c1.Cc1cccc(C2CNC[C@H](C)O2)c1.Cc1cccc(C2CO2)c1.Cc1cccc([C@@H]2CNC[C@@H](C)O2)c1.Cc1cccc([C@@H]2CNC[C@H](C)O2)c1.
What is the InChIKey of (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane?
The InChIKey is BWJPQOLZLBLMIA-VGTBAIBXSA-N. The full InChI is InChI=1S/2C12H19NO2.4C12H17NO.C9H10O.C9H10.2C3H9NO.2CH4/c2*1-9-4-3-5-11(6-9)12(15)8-13-7-10(2)14;4*1-9-4-3-5-11(6-9)12-8-13-7-10(2)14-12;1-7-3-2-4-8(5-7)9-6-10-9;1-3-9-6-4-5-8(2)7-9;2*1-3(5)2-4;;/h2*3-6,10,12-15H,7-8H2,1-2H3;4*3-6,10,12-13H,7-8H2,1-2H3;2-5,9H,6H2,1H3;3-7H,1H2,2H3;2*3,5H,2,4H2,1H3;2*1H4/t4*10-,12?;10-,12+;10-,12-;;;2*3-;;/m101010..10../s1.
What are the key properties of (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane?
(2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane has a molecular weight of 1618.34 g/mol, XLogP of 14.80, 18 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-aminopropan-2-ol;(2S)-1-aminopropan-2-ol;1-ethenyl-3-methylbenzene;(2R)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;(2S)-1-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]propan-2-ol;methane;(2R)-2-methyl-6-(3-methylphenyl)morpholine;(2S)-2-methyl-6-(3-methylphenyl)morpholine;(2R,6R)-2-methyl-6-(3-methylphenyl)morpholine;(2S,6R)-2-methyl-6-(3-methylphenyl)morpholine;2-(3-methylphenyl)oxirane is sourced from PubChem (CID 157483058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).