ethyl 2-(1-phenylethylamino)benzoate;hydrochloride

C17H20ClNO2 — CID 172883208

IUPACethyl 2-(1-phenylethylamino)benzoate;hydrochloride
SMILESCCOC(=O)c1ccccc1NC(C)c1ccccc1.Cl
InChIInChI=1S/C17H19NO2.ClH/c1-3-20-17(19)15-11-7-8-12-16(15)18-13(2)14-9-5-4-6-10-14;/h4-13,18H,3H2,1-2H3;1H
InChIKeyHZDVUJLYTNWFCX-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.46
Rot. Bonds5

About ethyl 2-(1-phenylethylamino)benzoate;hydrochloride

ethyl 2-(1-phenylethylamino)benzoate;hydrochloride (PubChem CID 172883208) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is ethyl 2-(1-phenylethylamino)benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(1-phenylethylamino)benzoate;hydrochloride
PubChem CID172883208
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Nameethyl 2-(1-phenylethylamino)benzoate;hydrochloride
SMILESCCOC(=O)c1ccccc1NC(C)c1ccccc1.Cl
InChIInChI=1S/C17H19NO2.ClH/c1-3-20-17(19)15-11-7-8-12-16(15)18-13(2)14-9-5-4-6-10-14;/h4-13,18H,3H2,1-2H3;1H
InChIKeyHZDVUJLYTNWFCX-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322188
ethyl 2-(1-phenylpropylamino)benzoate
CID 43322187
ethyl 2-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 108997359
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806
ethyl 2-[[5-(1-phenylethylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112949030
ethyl 2-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoate
CID 65333022
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
ethyl 2-[[6-(1-phenylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109347622
ethyl 2-(hexan-2-ylamino)benzoate
CID 43774647
ethyl 2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]benzoate
CID 69454696
ethyl 3-bromo-4-(1-phenylethylamino)benzoate
CID 43684354
methyl 2-amino-3-(1-phenylethylamino)benzoate
CID 115544214

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-phenylethylamino)benzoate;hydrochloride?
The IUPAC name of ethyl 2-(1-phenylethylamino)benzoate;hydrochloride (CID 172883208) is ethyl 2-(1-phenylethylamino)benzoate;hydrochloride.
What is the SMILES notation for ethyl 2-(1-phenylethylamino)benzoate;hydrochloride?
The canonical SMILES for ethyl 2-(1-phenylethylamino)benzoate;hydrochloride is CCOC(=O)c1ccccc1NC(C)c1ccccc1.Cl.
What is the InChIKey of ethyl 2-(1-phenylethylamino)benzoate;hydrochloride?
The InChIKey is HZDVUJLYTNWFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.ClH/c1-3-20-17(19)15-11-7-8-12-16(15)18-13(2)14-9-5-4-6-10-14;/h4-13,18H,3H2,1-2H3;1H.
What are the key properties of ethyl 2-(1-phenylethylamino)benzoate;hydrochloride?
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-phenylethylamino)benzoate;hydrochloride is sourced from PubChem (CID 172883208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).