2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid

C17H19NO3 — CID 115461339

IUPAC2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
SMILESC[C@@H](N)c1ccccc1OCc1ccccc1CC(=O)O
InChIInChI=1S/C17H19NO3/c1-12(18)15-8-4-5-9-16(15)21-11-14-7-3-2-6-13(14)10-17(19)20/h2-9,12H,10-11,18H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyWGQCAXRLPSNUFJ-GFCCVEGCSA-N
MW285.34 g/mol
LogP2.91
Rot. Bonds6

About 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid

2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid (PubChem CID 115461339) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
PubChem CID115461339
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
SMILESC[C@@H](N)c1ccccc1OCc1ccccc1CC(=O)O
InChIInChI=1S/C17H19NO3/c1-12(18)15-8-4-5-9-16(15)21-11-14-7-3-2-6-13(14)10-17(19)20/h2-9,12H,10-11,18H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyWGQCAXRLPSNUFJ-GFCCVEGCSA-N
XLogP2.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanamine
CID 60880695
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 112651722
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate
CID 78936379
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345723
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
2-[2-[[3-[3-(1-aminoethyl)-2-chlorophenyl]phenyl]methoxy]phenyl]acetic acid
CID 121347503
4-amino-3-(2-ethoxyphenyl)pentanoic acid
CID 66098544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid (CID 115461339) is 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid is C[C@@H](N)c1ccccc1OCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid?
The InChIKey is WGQCAXRLPSNUFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(18)15-8-4-5-9-16(15)21-11-14-7-3-2-6-13(14)10-17(19)20/h2-9,12H,10-11,18H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid?
2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid is sourced from PubChem (CID 115461339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).