2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid

C11H15NO3 — CID 141481719

IUPAC2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
SMILESCCOc1cc(CN)ccc1CC(=O)O
InChIInChI=1S/C11H15NO3/c1-2-15-10-5-8(7-12)3-4-9(10)6-11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14)
InChIKeyRGVLMLWEHUAELO-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.17
Rot. Bonds5

About 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid

2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid (PubChem CID 141481719) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
PubChem CID141481719
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
SMILESCCOc1cc(CN)ccc1CC(=O)O
InChIInChI=1S/C11H15NO3/c1-2-15-10-5-8(7-12)3-4-9(10)6-11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14)
InChIKeyRGVLMLWEHUAELO-UHFFFAOYSA-N
XLogP1.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-ethylamino]propanoic acid
CID 84754920
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol
CID 84754903
N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine
CID 84754901
2-(3-ethoxy-4-pentoxyphenyl)acetic acid
CID 7139429
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 43122479
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
CID 144778131
(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
CID 169488700

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid (CID 141481719) is 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid is CCOc1cc(CN)ccc1CC(=O)O.
What is the InChIKey of 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid?
The InChIKey is RGVLMLWEHUAELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-10-5-8(7-12)3-4-9(10)6-11(13)14/h3-5H,2,6-7,12H2,1H3,(H,13,14).
What are the key properties of 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid?
2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid is sourced from PubChem (CID 141481719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).