[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate

C17H19NO2 — CID 162818343

IUPAC[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate
SMILESCN[C@@H](C)[C@H](OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(18-2)16(14-9-5-3-6-10-14)20-17(19)15-11-7-4-8-12-15/h3-13,16,18H,1-2H3/t13-,16-/m0/s1
InChIKeyBLJZJGBAGDQSHC-BBRMVZONSA-N
MW269.34 g/mol
LogP3.19
Rot. Bonds5

About [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate

[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate (PubChem CID 162818343) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate.

Molecular Properties

Compound Name[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate
PubChem CID162818343
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate
SMILESCN[C@@H](C)[C@H](OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(18-2)16(14-9-5-3-6-10-14)20-17(19)15-11-7-4-8-12-15/h3-13,16,18H,1-2H3/t13-,16-/m0/s1
InChIKeyBLJZJGBAGDQSHC-BBRMVZONSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-(methylamino)-1-phenylpropyl] 4-tert-butylbenzoate
CID 89434559
2-[(1S,2R)-2-(methylamino)-1-phenylpropoxy]carbonylbenzoic acid
CID 89434507
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
[2-(methylamino)-1-phenylpropyl] 3,4-dihydroxybenzoate
CID 123278251
(2-methyl-3-oxo-1-phenylpropyl) benzoate
CID 122223711
[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
[2-(methylamino)-1-phenylpropyl] 1,3-benzodioxole-5-carboxylate
CID 123432710
1-phenylethyl benzoate
CID 174857426
[(1R,2R)-2-chloro-3-methoxy-3-oxo-1-phenylpropyl] benzoate
CID 100965071
(2-cyano-2-hydroxy-1-phenylethyl) benzoate
CID 135043818
[(1S,2S)-2-(1,3-dioxoisoindol-2-yl)-1-phenylpropyl] benzoate
CID 10981904
tris[2-(methylamino)-1-phenylpropyl] phosphate
CID 21115025

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate?
The IUPAC name of [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate (CID 162818343) is [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate.
What is the SMILES notation for [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate?
The canonical SMILES for [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate is CN[C@@H](C)[C@H](OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate?
The InChIKey is BLJZJGBAGDQSHC-BBRMVZONSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(18-2)16(14-9-5-3-6-10-14)20-17(19)15-11-7-4-8-12-15/h3-13,16,18H,1-2H3/t13-,16-/m0/s1.
What are the key properties of [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate?
[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate has a molecular weight of 269.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate is sourced from PubChem (CID 162818343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).