methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate

C19H23NO3 — CID 6917725

IUPACmethyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate
SMILESCOC(=O)c1ccc(CC(C)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(20-13-18(21)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)19(22)23-2/h3-11,14,18,20-21H,12-13H2,1-2H3
InChIKeyHGAQACVANZGWKA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.73
Rot. Bonds7

About methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate

methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate (PubChem CID 6917725) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate
PubChem CID6917725
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namemethyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate
SMILESCOC(=O)c1ccc(CC(C)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(20-13-18(21)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)19(22)23-2/h3-11,14,18,20-21H,12-13H2,1-2H3
InChIKeyHGAQACVANZGWKA-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate?
The IUPAC name of methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate (CID 6917725) is methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate.
What is the SMILES notation for methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate?
The canonical SMILES for methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate is COC(=O)c1ccc(CC(C)NCC(O)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate?
The InChIKey is HGAQACVANZGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(20-13-18(21)16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)19(22)23-2/h3-11,14,18,20-21H,12-13H2,1-2H3.
What are the key properties of methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate?
methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate has a molecular weight of 313.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]benzoate is sourced from PubChem (CID 6917725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).