methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride

C10H14ClNO2 — CID 21185367

IUPACmethyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride
SMILESCOC(=O)Cc1ccccc1CN.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)6-8-4-2-3-5-9(8)7-11;/h2-5H,6-7,11H2,1H3;1H
InChIKeyUSTQHZSUPSVRCN-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride

methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride (PubChem CID 21185367) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride
PubChem CID21185367
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namemethyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride
SMILESCOC(=O)Cc1ccccc1CN.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)6-8-4-2-3-5-9(8)7-11;/h2-5H,6-7,11H2,1H3;1H
InChIKeyUSTQHZSUPSVRCN-UHFFFAOYSA-N
XLogP1.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride?
The IUPAC name of methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride (CID 21185367) is methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride is COC(=O)Cc1ccccc1CN.Cl.
What is the InChIKey of methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride?
The InChIKey is USTQHZSUPSVRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-13-10(12)6-8-4-2-3-5-9(8)7-11;/h2-5H,6-7,11H2,1H3;1H.
What are the key properties of methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride?
methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(aminomethyl)phenyl]acetate;hydrochloride is sourced from PubChem (CID 21185367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).