methyl 3-[4-(aminomethyl)phenyl]benzoate

C15H15NO2 — CID 1394186

IUPACmethyl 3-[4-(aminomethyl)phenyl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc(CN)cc2)c1
InChIInChI=1S/C15H15NO2/c1-18-15(17)14-4-2-3-13(9-14)12-7-5-11(10-16)6-8-12/h2-9H,10,16H2,1H3
InChIKeySEYILLJJSJGXJD-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.60
Rot. Bonds3

About methyl 3-[4-(aminomethyl)phenyl]benzoate

methyl 3-[4-(aminomethyl)phenyl]benzoate (PubChem CID 1394186) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 3-[4-(aminomethyl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[4-(aminomethyl)phenyl]benzoate
PubChem CID1394186
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 3-[4-(aminomethyl)phenyl]benzoate
SMILESCOC(=O)c1cccc(-c2ccc(CN)cc2)c1
InChIInChI=1S/C15H15NO2/c1-18-15(17)14-4-2-3-13(9-14)12-7-5-11(10-16)6-8-12/h2-9H,10,16H2,1H3
InChIKeySEYILLJJSJGXJD-UHFFFAOYSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-(aminomethyl)benzoate
CID 571728
Methyl 4-biphenylcarboxylate
CID 69757
3-(4-Carbamoylphenyl)benzoic acid
CID 126484502
Methyl 4-(aminomethyl)benzoate hydrochloride
CID 2729253
tert-Butyl 4-(aminomethyl)benzoate
CID 14514888
4-(Azaniumylmethyl)benzoate
CID 42552846
Ethyl 4-(aminomethyl)benzoate
CID 436161
4'-Aminobiphenyl-4-carboxylic acid methyl ester
CID 737635
Ethyl 4-{[(4-methylbenzyl)amino]methyl}benzoate
CID 5019647
Ethyl 4-[(benzylamino)methyl]benzoate
CID 5053991
4-[3-(3-Carbamimidoyl-phenyl)-4-methoxycarbonyl-butyl]-benzoic acid methyl ester
CID 10595198
Methyl 4-[4-[2-(benzylamino)-2-oxoethyl]phenyl]benzoate
CID 90681443

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(aminomethyl)phenyl]benzoate?
The IUPAC name of methyl 3-[4-(aminomethyl)phenyl]benzoate (CID 1394186) is methyl 3-[4-(aminomethyl)phenyl]benzoate.
What is the SMILES notation for methyl 3-[4-(aminomethyl)phenyl]benzoate?
The canonical SMILES for methyl 3-[4-(aminomethyl)phenyl]benzoate is COC(=O)c1cccc(-c2ccc(CN)cc2)c1.
What is the InChIKey of methyl 3-[4-(aminomethyl)phenyl]benzoate?
The InChIKey is SEYILLJJSJGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-18-15(17)14-4-2-3-13(9-14)12-7-5-11(10-16)6-8-12/h2-9H,10,16H2,1H3.
What are the key properties of methyl 3-[4-(aminomethyl)phenyl]benzoate?
methyl 3-[4-(aminomethyl)phenyl]benzoate has a molecular weight of 241.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(aminomethyl)phenyl]benzoate is sourced from PubChem (CID 1394186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).