2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid

C14H21NO2 — CID 106509081

IUPAC2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
SMILESCCCCC(CN)(C(=O)O)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-3-4-9-14(10-15,13(16)17)12-8-6-5-7-11(12)2/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyNLESQOYQFXNDRE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.47
Rot. Bonds6

About 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid

2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid (PubChem CID 106509081) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
PubChem CID106509081
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
SMILESCCCCC(CN)(C(=O)O)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-3-4-9-14(10-15,13(16)17)12-8-6-5-7-11(12)2/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyNLESQOYQFXNDRE-UHFFFAOYSA-N
XLogP2.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
CID 106509167
2-[2-(4-carboxyoctan-4-yl)phenyl]-2-propylhexanoic acid
CID 158765235
2-(aminomethyl)-2,3-bis(2-methylphenyl)propanoic acid
CID 106509102
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
methyl 2-(aminomethyl)-5-hydroxy-2-(2-methylphenyl)pentanoate
CID 106509046
methyl 2-(aminomethyl)-4-butoxy-2-(2-methylphenyl)butanoate
CID 106509042
methyl 2-(aminomethyl)-6,6,6-trifluoro-2-(2-methylphenyl)hexanoate
CID 106509037
2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
CID 106509238
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248
methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
2-(aminomethyl)-3-(2-methylphenyl)-2-phenylpropanoic acid
CID 106489346
2-butyl-2-phenylpentanedioic acid
CID 67892428

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid (CID 106509081) is 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid is CCCCC(CN)(C(=O)O)c1ccccc1C.
What is the InChIKey of 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid?
The InChIKey is NLESQOYQFXNDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-9-14(10-15,13(16)17)12-8-6-5-7-11(12)2/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid?
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid is sourced from PubChem (CID 106509081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).