methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride

C11H16ClNO3 — CID 67396298

IUPACmethyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(CCN)c(OC)c1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-14-10-7-9(11(13)15-2)4-3-8(10)5-6-12;/h3-4,7H,5-6,12H2,1-2H3;1H
InChIKeyIGWKCKZNUZKRDL-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.40
Rot. Bonds4

About methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride

methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride (PubChem CID 67396298) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
PubChem CID67396298
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Namemethyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(CCN)c(OC)c1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-14-10-7-9(11(13)15-2)4-3-8(10)5-6-12;/h3-4,7H,5-6,12H2,1-2H3;1H
InChIKeyIGWKCKZNUZKRDL-UHFFFAOYSA-N
XLogP1.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
[(2-methoxy-4-methoxycarbonylphenyl)methylamino]carbamic acid
CID 166681453
methyl 4-amino-3-methoxybenzoate
CID 602411
3-(4-ethoxycarbonyl-2-methoxyphenyl)propanoic acid
CID 134641089
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
4-(2-bromoethyl)-3-methoxybenzamide
CID 123699479
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
methyl 4-(aminomethyl)-3-bromobenzoate
CID 53419661
methyl 3-(2-aminoethyl)benzoate
CID 10511548

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride?
The IUPAC name of methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride (CID 67396298) is methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride.
What is the SMILES notation for methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride?
The canonical SMILES for methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride is COC(=O)c1ccc(CCN)c(OC)c1.Cl.
What is the InChIKey of methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride?
The InChIKey is IGWKCKZNUZKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-14-10-7-9(11(13)15-2)4-3-8(10)5-6-12;/h3-4,7H,5-6,12H2,1-2H3;1H.
What are the key properties of methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride?
methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride is sourced from PubChem (CID 67396298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).