2-(2-amino-3-methylphenyl)decanoic acid

C17H27NO2 — CID 106987425

IUPAC2-(2-amino-3-methylphenyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)c1cccc(C)c1N
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-8-11-15(17(19)20)14-12-9-10-13(2)16(14)18/h9-10,12,15H,3-8,11,18H2,1-2H3,(H,19,20)
InChIKeyWTFGAUSXIISJAU-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.50
Rot. Bonds9

About 2-(2-amino-3-methylphenyl)decanoic acid

2-(2-amino-3-methylphenyl)decanoic acid (PubChem CID 106987425) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)decanoic acid.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)decanoic acid
PubChem CID106987425
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2-amino-3-methylphenyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)c1cccc(C)c1N
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-8-11-15(17(19)20)14-12-9-10-13(2)16(14)18/h9-10,12,15H,3-8,11,18H2,1-2H3,(H,19,20)
InChIKeyWTFGAUSXIISJAU-UHFFFAOYSA-N
XLogP4.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-amino-3-methylphenyl)octanoate
CID 106987977
2-(2-amino-3-bromophenyl)decanoic acid
CID 106987429
2-(2-amino-3-fluorophenyl)decanoic acid
CID 106820197
2-(2-amino-3-fluorophenyl)heptanoic acid
CID 106987341
2-(2-amino-3-nitrophenyl)octanoic acid
CID 106987303
2-naphthalen-1-yldodecanoic acid
CID 23333439
2-(2-amino-3-methylphenyl)-4-methylpentanoic acid
CID 106987995
2-(2,6-dimethylphenyl)hexanoic acid
CID 66815407
2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-(2,3-dimethylphenyl)dodecanedioic acid
CID 67454314
2-(2-ethoxyphenyl)octanoic acid
CID 174447209
2-[2-(diaminomethylideneamino)phenyl]henicosanoic acid
CID 69479694

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)decanoic acid?
The IUPAC name of 2-(2-amino-3-methylphenyl)decanoic acid (CID 106987425) is 2-(2-amino-3-methylphenyl)decanoic acid.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)decanoic acid?
The canonical SMILES for 2-(2-amino-3-methylphenyl)decanoic acid is CCCCCCCCC(C(=O)O)c1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)decanoic acid?
The InChIKey is WTFGAUSXIISJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-6-7-8-11-15(17(19)20)14-12-9-10-13(2)16(14)18/h9-10,12,15H,3-8,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-amino-3-methylphenyl)decanoic acid?
2-(2-amino-3-methylphenyl)decanoic acid has a molecular weight of 277.41 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)decanoic acid is sourced from PubChem (CID 106987425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).