methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride

C15H19ClN2O2 — CID 23640921

IUPACmethyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(-c2ccccc2)n(CCN)c1C.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-11-13(15(18)19-2)10-14(17(11)9-8-16)12-6-4-3-5-7-12;/h3-7,10H,8-9,16H2,1-2H3;1H
InChIKeyLMBQBERVFIYZHG-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.63
Rot. Bonds4

About methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride

methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride (PubChem CID 23640921) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride
PubChem CID23640921
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Namemethyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(-c2ccccc2)n(CCN)c1C.Cl
InChIInChI=1S/C15H18N2O2.ClH/c1-11-13(15(18)19-2)10-14(17(11)9-8-16)12-6-4-3-5-7-12;/h3-7,10H,8-9,16H2,1-2H3;1H
InChIKeyLMBQBERVFIYZHG-UHFFFAOYSA-N
XLogP2.63
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylate
CID 2742171
Ethyl 2-methyl-4-phenyl-1h-pyrrole-3-carboxylate
CID 230431
2-Methyl-4-phenyl-1H-pyrrole-3-carboxylic acid methyl ester
CID 910657
1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CID 3312874
Ethyl 2-methyl-4,5-diphenyl-1H-pyrrole-3-carboxylate
CID 253134
ethyl 1-(3-{[3-(ethoxycarbonyl)phenyl]amino}-3-oxopropyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
CID 4994807
ethyl 4-benzyl-2-methyl-1H-pyrrole-3-carboxylate
CID 2526776
methyl 2,5-dimethyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate
CID 691293
ethyl 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
CID 882404
1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
CID 3235924
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
CID 3245731
ethyl 1-benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 661090

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride (CID 23640921) is methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride is COC(=O)c1cc(-c2ccccc2)n(CCN)c1C.Cl.
What is the InChIKey of methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride?
The InChIKey is LMBQBERVFIYZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.ClH/c1-11-13(15(18)19-2)10-14(17(11)9-8-16)12-6-4-3-5-7-12;/h3-7,10H,8-9,16H2,1-2H3;1H.
What are the key properties of methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride?
methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-aminoethyl)-2-methyl-5-phenylpyrrole-3-carboxylate;hydrochloride is sourced from PubChem (CID 23640921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).