2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid

C17H27NO2 — CID 106509238

IUPAC2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
SMILESCCCCCCCC(CN)(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-12-17(13-18,16(19)20)15-10-8-14(2)9-11-15/h8-11H,3-7,12-13,18H2,1-2H3,(H,19,20)
InChIKeyQLORFNDCGCTQQV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.64
Rot. Bonds9

About 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid

2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid (PubChem CID 106509238) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
PubChem CID106509238
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid
SMILESCCCCCCCC(CN)(C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-12-17(13-18,16(19)20)15-10-8-14(2)9-11-15/h8-11H,3-7,12-13,18H2,1-2H3,(H,19,20)
InChIKeyQLORFNDCGCTQQV-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248
2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
CID 106490906
2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
CID 106509245
2-(aminomethyl)-2-(4-fluorophenyl)heptanoic acid
CID 106490980
2-(aminomethyl)-2-(4-methylphenyl)-4-methylsulfonylbutanoic acid
CID 106509272
methyl 2-(aminomethyl)-2-(4-fluorophenyl)nonanoate
CID 106490831
methyl 2-(aminomethyl)-2-(4-methylphenyl)pentanoate
CID 106509339
2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
CID 106508544
2-(aminomethyl)-4,4-difluoro-2-(4-methylphenyl)butanoic acid
CID 106509226
2-(4-methylphenyl)octan-2-ol
CID 65144778
2-(aminomethyl)-2-(2-methylphenyl)hexanoic acid
CID 106509081
2-(aminomethyl)-2-(4-methylphenyl)-4-pyridin-3-ylbutanoic acid
CID 106509251

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid (CID 106509238) is 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid is CCCCCCCC(CN)(C(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid?
The InChIKey is QLORFNDCGCTQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-6-7-12-17(13-18,16(19)20)15-10-8-14(2)9-11-15/h8-11H,3-7,12-13,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid?
2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid has a molecular weight of 277.41 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-methylphenyl)nonanoic acid is sourced from PubChem (CID 106509238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).