ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate

C16H25NO2 — CID 106488221

IUPACethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate
SMILESCCCC(CN)(Cc1ccc(C)cc1)C(=O)OCC
InChIInChI=1S/C16H25NO2/c1-4-10-16(12-17,15(18)19-5-2)11-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12,17H2,1-3H3
InChIKeyXGEPISJGASWXLD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds7

About ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate

ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate (PubChem CID 106488221) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate
PubChem CID106488221
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate
SMILESCCCC(CN)(Cc1ccc(C)cc1)C(=O)OCC
InChIInChI=1S/C16H25NO2/c1-4-10-16(12-17,15(18)19-5-2)11-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12,17H2,1-3H3
InChIKeyXGEPISJGASWXLD-UHFFFAOYSA-N
XLogP2.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate 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-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
CID 106488870
ethyl 2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]pentanoate
CID 106488224
ethyl 2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanoate
CID 106488186
ethyl 2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488249
ethyl (2R)-2-(aminomethyl)-2-benzyl-3-(2-iodophenyl)propanoate
CID 134953429
ethyl 2-ethyl-2-(hydroxymethyl)pentanoate
CID 134918854
ethyl 2-(aminomethyl)-2-ethyl-6-phenylhexanoate
CID 106487514
methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
CID 106509339
2-ethoxycarbonyl-4-methyl-2-[(4-methylphenyl)methyl]pentanoic acid
CID 103973957
2-(aminomethyl)-2-ethyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 115432024
2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697
ethyl 2-methyl-2-(4-methylanilino)pentanoate
CID 54889848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate (CID 106488221) is ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate is CCCC(CN)(Cc1ccc(C)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate?
The InChIKey is XGEPISJGASWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-10-16(12-17,15(18)19-5-2)11-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12,17H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate?
ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate has a molecular weight of 263.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate is sourced from PubChem (CID 106488221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).