methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate

C14H21NO2 — CID 106509339

IUPACmethyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
SMILESCCCC(CN)(C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-14(10-15,13(16)17-3)12-7-5-11(2)6-8-12/h5-8H,4,9-10,15H2,1-3H3
InChIKeyBDSDICDOKSQQAL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate

methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate (PubChem CID 106509339) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
PubChem CID106509339
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
SMILESCCCC(CN)(C(=O)OC)c1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-14(10-15,13(16)17-3)12-7-5-11(2)6-8-12/h5-8H,4,9-10,15H2,1-3H3
InChIKeyBDSDICDOKSQQAL-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)-5,5-dimethyl-2-(4-methylphenyl)hexanoate
CID 106509351
methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
methyl 2-(aminomethyl)-2-(4-fluorophenyl)nonanoate
CID 106490831
methyl 2-(aminomethyl)-4-butoxy-2-(4-fluorophenyl)butanoate
CID 106490844
2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
CID 106509238
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248
methyl 2-(aminomethyl)-2-(4-fluorophenyl)-5-hydroxy-5-methylhexanoate
CID 106490863
methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate
CID 106489227
methyl 2-(aminomethyl)-3-ethoxy-2-phenylpropanoate
CID 106489257
2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
CID 106509245
methyl 2-(aminomethyl)-5-ethoxy-2-(3-methylphenyl)pentanoate
CID 106509370
methyl 2-(aminomethyl)-5-methoxy-2-(3-methylphenyl)pentanoate
CID 106509400

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate (CID 106509339) is methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate is CCCC(CN)(C(=O)OC)c1ccc(C)cc1.
What is the InChIKey of methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate?
The InChIKey is BDSDICDOKSQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-9-14(10-15,13(16)17-3)12-7-5-11(2)6-8-12/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate?
methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate has a molecular weight of 235.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate is sourced from PubChem (CID 106509339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).