ethyl 4-[4-(2-aminopropyl)phenyl]benzoate

C18H21NO2 — CID 14368632

IUPACethyl 4-[4-(2-aminopropyl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(CC(C)N)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-21-18(20)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-13(2)19/h4-11,13H,3,12,19H2,1-2H3
InChIKeyBJUVMVONJZYDCT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.42
Rot. Bonds5

About ethyl 4-[4-(2-aminopropyl)phenyl]benzoate

ethyl 4-[4-(2-aminopropyl)phenyl]benzoate (PubChem CID 14368632) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 4-[4-(2-aminopropyl)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(2-aminopropyl)phenyl]benzoate
PubChem CID14368632
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 4-[4-(2-aminopropyl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(CC(C)N)cc2)cc1
InChIInChI=1S/C18H21NO2/c1-3-21-18(20)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-13(2)19/h4-11,13H,3,12,19H2,1-2H3
InChIKeyBJUVMVONJZYDCT-UHFFFAOYSA-N
XLogP3.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[4-(2-aminopropyl)phenyl]benzoate;ethane
CID 143794489
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
ethyl 4-[2-(methylamino)propyl]benzoate
CID 70900098
ethyl 4-[4-(1-hydroxyethyl)phenyl]benzoate
CID 14425758
ethyl 4-(3-hydroxybutyl)benzoate
CID 71663434
ethyl 4-[(2S)-3-(dimethylamino)-2-methylpropyl]benzoate
CID 139211043
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
[4-[4-[(2R)-2-aminopropyl]phenyl]phenyl] propanoate
CID 91530877
ethyl 4-(4-heptylphenyl)benzoate
CID 146004855

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-aminopropyl)phenyl]benzoate?
The IUPAC name of ethyl 4-[4-(2-aminopropyl)phenyl]benzoate (CID 14368632) is ethyl 4-[4-(2-aminopropyl)phenyl]benzoate.
What is the SMILES notation for ethyl 4-[4-(2-aminopropyl)phenyl]benzoate?
The canonical SMILES for ethyl 4-[4-(2-aminopropyl)phenyl]benzoate is CCOC(=O)c1ccc(-c2ccc(CC(C)N)cc2)cc1.
What is the InChIKey of ethyl 4-[4-(2-aminopropyl)phenyl]benzoate?
The InChIKey is BJUVMVONJZYDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-21-18(20)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-13(2)19/h4-11,13H,3,12,19H2,1-2H3.
What are the key properties of ethyl 4-[4-(2-aminopropyl)phenyl]benzoate?
ethyl 4-[4-(2-aminopropyl)phenyl]benzoate has a molecular weight of 283.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-aminopropyl)phenyl]benzoate is sourced from PubChem (CID 14368632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).