methyl 4-(2-aminoethyl)benzoate;hydrochloride

C10H14ClNO2 — CID 13078671

IUPACmethyl 4-(2-aminoethyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(CCN)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)9-4-2-8(3-5-9)6-7-11;/h2-5H,6-7,11H2,1H3;1H
InChIKeyHYBVWCPWTPZFQE-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.40
Rot. Bonds3

About methyl 4-(2-aminoethyl)benzoate;hydrochloride

methyl 4-(2-aminoethyl)benzoate;hydrochloride (PubChem CID 13078671) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is methyl 4-(2-aminoethyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(2-aminoethyl)benzoate;hydrochloride
PubChem CID13078671
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Namemethyl 4-(2-aminoethyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(CCN)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-10(12)9-4-2-8(3-5-9)6-7-11;/h2-5H,6-7,11H2,1H3;1H
InChIKeyHYBVWCPWTPZFQE-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethyl)benzoate;hydrochloride?
The IUPAC name of methyl 4-(2-aminoethyl)benzoate;hydrochloride (CID 13078671) is methyl 4-(2-aminoethyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 4-(2-aminoethyl)benzoate;hydrochloride?
The canonical SMILES for methyl 4-(2-aminoethyl)benzoate;hydrochloride is COC(=O)c1ccc(CCN)cc1.Cl.
What is the InChIKey of methyl 4-(2-aminoethyl)benzoate;hydrochloride?
The InChIKey is HYBVWCPWTPZFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-13-10(12)9-4-2-8(3-5-9)6-7-11;/h2-5H,6-7,11H2,1H3;1H.
What are the key properties of methyl 4-(2-aminoethyl)benzoate;hydrochloride?
methyl 4-(2-aminoethyl)benzoate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethyl)benzoate;hydrochloride is sourced from PubChem (CID 13078671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).