2-[2-(aminomethyl)phenoxy]acetic acid

C9H11NO3 — CID 15103326

IUPAC2-[2-(aminomethyl)phenoxy]acetic acid
SMILESNCc1ccccc1OCC(=O)O
InChIInChI=1S/C9H11NO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKeyLRVPYSFDDOPEAR-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.61
Rot. Bonds4

About 2-[2-(aminomethyl)phenoxy]acetic acid

2-[2-(aminomethyl)phenoxy]acetic acid (PubChem CID 15103326) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]acetic acid
PubChem CID15103326
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-[2-(aminomethyl)phenoxy]acetic acid
SMILESNCc1ccccc1OCC(=O)O
InChIInChI=1S/C9H11NO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKeyLRVPYSFDDOPEAR-UHFFFAOYSA-N
XLogP0.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
2-[2-(aminomethyl)phenoxy]-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204457
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866
2-[2-(anilinomethyl)phenoxy]acetic acid
CID 126116290
CID 131854846
CID 131854846
2-(2-dodecylphenoxy)acetic acid
CID 572415
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
CID 57411892
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
2-[2-(aminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 16788914

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]acetic acid (CID 15103326) is 2-[2-(aminomethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]acetic acid is NCc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]acetic acid?
The InChIKey is LRVPYSFDDOPEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,5-6,10H2,(H,11,12).
What are the key properties of 2-[2-(aminomethyl)phenoxy]acetic acid?
2-[2-(aminomethyl)phenoxy]acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]acetic acid is sourced from PubChem (CID 15103326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).