propyl 4-(aminomethyl)benzoate

C11H15NO2 — CID 43248030

IUPACpropyl 4-(aminomethyl)benzoate
SMILESCCCOC(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H15NO2/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10/h3-6H,2,7-8,12H2,1H3
InChIKeyWFPMQKJKXDGHHU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.71
Rot. Bonds4

About propyl 4-(aminomethyl)benzoate

propyl 4-(aminomethyl)benzoate (PubChem CID 43248030) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is propyl 4-(aminomethyl)benzoate.

Molecular Properties

Compound Namepropyl 4-(aminomethyl)benzoate
PubChem CID43248030
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namepropyl 4-(aminomethyl)benzoate
SMILESCCCOC(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H15NO2/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10/h3-6H,2,7-8,12H2,1H3
InChIKeyWFPMQKJKXDGHHU-UHFFFAOYSA-N
XLogP1.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Aminomethyl)Benzoic Acid
CID 65526
Methyl 4-methylbenzoate
CID 7455
Colextran
CID 230181
Diethyl terephthalate
CID 12483
Methyl 4-(aminomethyl)benzoate
CID 571728
Diallyl terephthalate
CID 66102
Ethyl p-toluate
CID 66743
Methyl 4-(hydrazinecarbonyl)benzoate
CID 596004
Ethyl 4-cyanobenzoate
CID 81589
Methyl 4-ethenylbenzoate
CID 583124
Methyl 4-(piperidin-1-ylmethyl)benzoate
CID 782306
Methyl 4-(pyrrolidin-1-ylmethyl)benzoate
CID 756589

Frequently Asked Questions

What is the IUPAC name of propyl 4-(aminomethyl)benzoate?
The IUPAC name of propyl 4-(aminomethyl)benzoate (CID 43248030) is propyl 4-(aminomethyl)benzoate.
What is the SMILES notation for propyl 4-(aminomethyl)benzoate?
The canonical SMILES for propyl 4-(aminomethyl)benzoate is CCCOC(=O)c1ccc(CN)cc1.
What is the InChIKey of propyl 4-(aminomethyl)benzoate?
The InChIKey is WFPMQKJKXDGHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10/h3-6H,2,7-8,12H2,1H3.
What are the key properties of propyl 4-(aminomethyl)benzoate?
propyl 4-(aminomethyl)benzoate has a molecular weight of 193.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(aminomethyl)benzoate is sourced from PubChem (CID 43248030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).