ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate

C15H23NO3 — CID 106487540

IUPACethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
SMILESCCOC(=O)C(CC)(CN)Cc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-4-15(11-16,14(17)19-5-2)10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyWMZQGJKLXAHQRF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.16
Rot. Bonds7

About ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate

ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate (PubChem CID 106487540) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
PubChem CID106487540
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
SMILESCCOC(=O)C(CC)(CN)Cc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-4-15(11-16,14(17)19-5-2)10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11,16H2,1-3H3
InChIKeyWMZQGJKLXAHQRF-UHFFFAOYSA-N
XLogP2.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate 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 (2R)-2-(aminomethyl)-2-benzyl-3-(2-iodophenyl)propanoate
CID 134953429
ethyl 2-(aminomethyl)-2-[(6-methoxy-2-pyridinyl)methyl]butanoate
CID 106487661
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
CID 79298689
ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
CID 65237014
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
1-[2-(chloromethyl)-2-ethylbutyl]-2-methoxybenzene
CID 66036060
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
CID 115046789
N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 114304648
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate (CID 106487540) is ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate is CCOC(=O)C(CC)(CN)Cc1ccccc1OC.
What is the InChIKey of ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate?
The InChIKey is WMZQGJKLXAHQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(11-16,14(17)19-5-2)10-12-8-6-7-9-13(12)18-3/h6-9H,4-5,10-11,16H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate?
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate is sourced from PubChem (CID 106487540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).