2-methylpentyl 3-amino-4-ethoxybenzoate

C15H23NO3 — CID 55055867

IUPAC2-methylpentyl 3-amino-4-ethoxybenzoate
SMILESCCCC(C)COC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C15H23NO3/c1-4-6-11(3)10-19-15(17)12-7-8-14(18-5-2)13(16)9-12/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyAHMQFOWUAJXPCA-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.26
Rot. Bonds7

About 2-methylpentyl 3-amino-4-ethoxybenzoate

2-methylpentyl 3-amino-4-ethoxybenzoate (PubChem CID 55055867) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-methylpentyl 3-amino-4-ethoxybenzoate.

Molecular Properties

Compound Name2-methylpentyl 3-amino-4-ethoxybenzoate
PubChem CID55055867
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-methylpentyl 3-amino-4-ethoxybenzoate
SMILESCCCC(C)COC(=O)c1ccc(OCC)c(N)c1
InChIInChI=1S/C15H23NO3/c1-4-6-11(3)10-19-15(17)12-7-8-14(18-5-2)13(16)9-12/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyAHMQFOWUAJXPCA-UHFFFAOYSA-N
XLogP3.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentyl 3-amino-4-methoxybenzoate
CID 62265567
pentan-2-yl 3-amino-4-ethoxybenzoate
CID 102983098
2-methylpentyl 3-amino-4-methylbenzoate
CID 62265210
2-ethylbutyl 3-amino-4-ethoxybenzoate
CID 82930597
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
4-(2-methylpentoxycarbonyl)benzoic acid
CID 174193662
2-methylpentyl 6-aminopyridine-3-carboxylate
CID 103284118
ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
ethyl 3-amino-4-(2-ethylhexoxy)benzoate
CID 63423326
2-methylpentyl 6-bromopyridine-3-carboxylate
CID 103285936
3-cyanopropyl 3-amino-4-ethoxybenzoate
CID 61321472
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 3-amino-4-ethoxybenzoate?
The IUPAC name of 2-methylpentyl 3-amino-4-ethoxybenzoate (CID 55055867) is 2-methylpentyl 3-amino-4-ethoxybenzoate.
What is the SMILES notation for 2-methylpentyl 3-amino-4-ethoxybenzoate?
The canonical SMILES for 2-methylpentyl 3-amino-4-ethoxybenzoate is CCCC(C)COC(=O)c1ccc(OCC)c(N)c1.
What is the InChIKey of 2-methylpentyl 3-amino-4-ethoxybenzoate?
The InChIKey is AHMQFOWUAJXPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-11(3)10-19-15(17)12-7-8-14(18-5-2)13(16)9-12/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 2-methylpentyl 3-amino-4-ethoxybenzoate?
2-methylpentyl 3-amino-4-ethoxybenzoate has a molecular weight of 265.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 3-amino-4-ethoxybenzoate is sourced from PubChem (CID 55055867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).