methyl 4-[2-(2-aminoethyl)phenyl]benzoate

C16H17NO2 — CID 1393592

IUPACmethyl 4-[2-(2-aminoethyl)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccccc2CCN)cc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)14-8-6-13(7-9-14)15-5-3-2-4-12(15)10-11-17/h2-9H,10-11,17H2,1H3
InChIKeyOMNLJJDUYIKLKX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.64
Rot. Bonds4

About methyl 4-[2-(2-aminoethyl)phenyl]benzoate

methyl 4-[2-(2-aminoethyl)phenyl]benzoate (PubChem CID 1393592) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 4-[2-(2-aminoethyl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-aminoethyl)phenyl]benzoate
PubChem CID1393592
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 4-[2-(2-aminoethyl)phenyl]benzoate
SMILESCOC(=O)c1ccc(-c2ccccc2CCN)cc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)14-8-6-13(7-9-14)15-5-3-2-4-12(15)10-11-17/h2-9H,10-11,17H2,1H3
InChIKeyOMNLJJDUYIKLKX-UHFFFAOYSA-N
XLogP2.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[2-(2-aminoethyl)phenyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-(2-amino-3-methoxy-3-oxopropyl)phenyl]benzoate
CID 170884039
methyl 4-[2-(3-aminopropoxy)phenyl]benzoate
CID 170456514
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
2-[4-[2-(2-aminoethyl)phenyl]phenyl]ethanamine
CID 122383957
methyl 4-(2-propanoylphenyl)benzoate
CID 174354570
[4-[2-(2-aminoethyl)phenyl]phenyl]-(3-bromophenyl)methanone
CID 174780430
methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
CID 67257428
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
CID 67396298
4-(2-ethylphenyl)benzamide
CID 69080578

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-aminoethyl)phenyl]benzoate?
The IUPAC name of methyl 4-[2-(2-aminoethyl)phenyl]benzoate (CID 1393592) is methyl 4-[2-(2-aminoethyl)phenyl]benzoate.
What is the SMILES notation for methyl 4-[2-(2-aminoethyl)phenyl]benzoate?
The canonical SMILES for methyl 4-[2-(2-aminoethyl)phenyl]benzoate is COC(=O)c1ccc(-c2ccccc2CCN)cc1.
What is the InChIKey of methyl 4-[2-(2-aminoethyl)phenyl]benzoate?
The InChIKey is OMNLJJDUYIKLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)14-8-6-13(7-9-14)15-5-3-2-4-12(15)10-11-17/h2-9H,10-11,17H2,1H3.
What are the key properties of methyl 4-[2-(2-aminoethyl)phenyl]benzoate?
methyl 4-[2-(2-aminoethyl)phenyl]benzoate has a molecular weight of 255.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-aminoethyl)phenyl]benzoate is sourced from PubChem (CID 1393592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).