2-(aminomethyl)benzoic acid;hydrochloride

C8H10ClNO2 — CID 45263715

IUPAC2-(aminomethyl)benzoic acid;hydrochloride
SMILESCl.NCc1ccccc1C(=O)O
InChIInChI=1S/C8H9NO2.ClH/c9-5-6-3-1-2-4-7(6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H
InChIKeyHWHUNDJAGYQZHL-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.27
Rot. Bonds2

About 2-(aminomethyl)benzoic acid;hydrochloride

2-(aminomethyl)benzoic acid;hydrochloride (PubChem CID 45263715) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-(aminomethyl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)benzoic acid;hydrochloride
PubChem CID45263715
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name2-(aminomethyl)benzoic acid;hydrochloride
SMILESCl.NCc1ccccc1C(=O)O
InChIInChI=1S/C8H9NO2.ClH/c9-5-6-3-1-2-4-7(6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H
InChIKeyHWHUNDJAGYQZHL-UHFFFAOYSA-N
XLogP1.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)benzoic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)benzoic acid;hydrochloride (CID 45263715) is 2-(aminomethyl)benzoic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)benzoic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)benzoic acid;hydrochloride is Cl.NCc1ccccc1C(=O)O.
What is the InChIKey of 2-(aminomethyl)benzoic acid;hydrochloride?
The InChIKey is HWHUNDJAGYQZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c9-5-6-3-1-2-4-7(6)8(10)11;/h1-4H,5,9H2,(H,10,11);1H.
What are the key properties of 2-(aminomethyl)benzoic acid;hydrochloride?
2-(aminomethyl)benzoic acid;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)benzoic acid;hydrochloride is sourced from PubChem (CID 45263715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).