(1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol

C87H118N6O6 — CID 161287663

IUPAC(1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)N(C)C(C)[C@@H](O)c1ccccc1.CC(C)N(C)[C@H](c1ccccc1)[C@@H](O)c1ccccc1.CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1.CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1.CO[C@@H](c1ccccc1)[C@@H](C)N(C)C.CO[C@@H](c1ccccc1)[C@@H](C)N1CCCC1
InChIInChI=1S/C18H23NO.2C15H17NO.C14H21NO.C13H21NO.C12H19NO/c1-14(2)19(3)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16;2*1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;1-12(15-10-6-7-11-15)14(16-2)13-8-4-3-5-9-13;1-10(2)14(4)11(3)13(15)12-8-6-5-7-9-12;1-10(13(2)3)12(14-4)11-8-6-5-7-9-11/h4-14,17-18,20H,1-3H3;2*2-11,14-17H,1H3;3-5,8-9,12,14H,6-7,10-11H2,1-2H3;5-11,13,15H,1-4H3;5-10,12H,1-4H3/t17-,18+;2*14-,15+;12-,14-;11?,13-;10-,12-/m110111/s1
InChIKeyVFXVQLWMVMDWNO-UQURSUJFSA-N
MW1343.94 g/mol
LogP16.79
Rot. Bonds25

About (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol

(1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol (PubChem CID 161287663) has the molecular formula C87H118N6O6 and a molecular weight of 1343.94 g/mol. Its IUPAC name is (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol
PubChem CID161287663
Molecular FormulaC87H118N6O6
Molecular Weight1343.94 g/mol
Exact Mass1342.91
IUPAC Name(1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)N(C)C(C)[C@@H](O)c1ccccc1.CC(C)N(C)[C@H](c1ccccc1)[C@@H](O)c1ccccc1.CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1.CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1.CO[C@@H](c1ccccc1)[C@@H](C)N(C)C.CO[C@@H](c1ccccc1)[C@@H](C)N1CCCC1
InChIInChI=1S/C18H23NO.2C15H17NO.C14H21NO.C13H21NO.C12H19NO/c1-14(2)19(3)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16;2*1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;1-12(15-10-6-7-11-15)14(16-2)13-8-4-3-5-9-13;1-10(2)14(4)11(3)13(15)12-8-6-5-7-9-12;1-10(13(2)3)12(14-4)11-8-6-5-7-9-11/h4-14,17-18,20H,1-3H3;2*2-11,14-17H,1H3;3-5,8-9,12,14H,6-7,10-11H2,1-2H3;5-11,13,15H,1-4H3;5-10,12H,1-4H3/t17-,18+;2*14-,15+;12-,14-;11?,13-;10-,12-/m110111/s1
InChIKeyVFXVQLWMVMDWNO-UQURSUJFSA-N
XLogP16.79
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001343.94
LogP ≤ 516.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol (CID 161287663) is (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol is CC(C)N(C)C(C)[C@@H](O)c1ccccc1.CC(C)N(C)[C@H](c1ccccc1)[C@@H](O)c1ccccc1.CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1.CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1.CO[C@@H](c1ccccc1)[C@@H](C)N(C)C.CO[C@@H](c1ccccc1)[C@@H](C)N1CCCC1.
What is the InChIKey of (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is VFXVQLWMVMDWNO-UQURSUJFSA-N. The full InChI is InChI=1S/C18H23NO.2C15H17NO.C14H21NO.C13H21NO.C12H19NO/c1-14(2)19(3)17(15-10-6-4-7-11-15)18(20)16-12-8-5-9-13-16;2*1-16-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13;1-12(15-10-6-7-11-15)14(16-2)13-8-4-3-5-9-13;1-10(2)14(4)11(3)13(15)12-8-6-5-7-9-12;1-10(13(2)3)12(14-4)11-8-6-5-7-9-11/h4-14,17-18,20H,1-3H3;2*2-11,14-17H,1H3;3-5,8-9,12,14H,6-7,10-11H2,1-2H3;5-11,13,15H,1-4H3;5-10,12H,1-4H3/t17-,18+;2*14-,15+;12-,14-;11?,13-;10-,12-/m110111/s1.
What are the key properties of (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
(1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 1343.94 g/mol, XLogP of 16.79, 25 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-methoxy-N,N-dimethyl-1-phenylpropan-2-amine;1-[(1S,2R)-1-methoxy-1-phenylpropan-2-yl]pyrrolidine;(1S,2R)-2-(methylamino)-1,2-diphenylethanol;(1R,2S)-2-(methylamino)-1,2-diphenylethanol;(1S,2R)-2-[methyl(propan-2-yl)amino]-1,2-diphenylethanol;(1S)-2-[methyl(propan-2-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 161287663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).