2-[2-(tert-butylamino)ethoxy]benzoic acid

C13H19NO3 — CID 103235164

IUPAC2-[2-(tert-butylamino)ethoxy]benzoic acid
SMILESCC(C)(C)NCCOc1ccccc1C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(2,3)14-8-9-17-11-7-5-4-6-10(11)12(15)16/h4-7,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyDMKAUGNRHSAONQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.15
Rot. Bonds5

About 2-[2-(tert-butylamino)ethoxy]benzoic acid

2-[2-(tert-butylamino)ethoxy]benzoic acid (PubChem CID 103235164) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethoxy]benzoic acid
PubChem CID103235164
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[2-(tert-butylamino)ethoxy]benzoic acid
SMILESCC(C)(C)NCCOc1ccccc1C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(2,3)14-8-9-17-11-7-5-4-6-10(11)12(15)16/h4-7,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyDMKAUGNRHSAONQ-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137
2-[11-[(2-methylpropan-2-yl)oxycarbonylamino]undecoxy]benzoic acid
CID 134353591
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
CID 103266487
2-[2-(2-chloroanilino)ethoxy]benzoic acid
CID 103234531
2-[2-(2-acetylphenoxy)ethylamino]-2-methylbutanoic acid
CID 79789400
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-(2-phenylethylamino)ethoxy]benzoic acid
CID 103234116
2-(3-tert-butylsulfanylpropoxy)benzoic acid
CID 55180903
2-butoxybenzoic acid;carbonic acid
CID 137455653

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(tert-butylamino)ethoxy]benzoic acid (CID 103235164) is 2-[2-(tert-butylamino)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(tert-butylamino)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(tert-butylamino)ethoxy]benzoic acid is CC(C)(C)NCCOc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(tert-butylamino)ethoxy]benzoic acid?
The InChIKey is DMKAUGNRHSAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)14-8-9-17-11-7-5-4-6-10(11)12(15)16/h4-7,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(tert-butylamino)ethoxy]benzoic acid?
2-[2-(tert-butylamino)ethoxy]benzoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethoxy]benzoic acid is sourced from PubChem (CID 103235164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).