2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid

C14H21NO3 — CID 113477259

IUPAC2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
SMILESCCOC(C)CNCc1ccccc1CC(=O)O
InChIInChI=1S/C14H21NO3/c1-3-18-11(2)9-15-10-13-7-5-4-6-12(13)8-14(16)17/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyCYKDGLLAVZXRAB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds8

About 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid

2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid (PubChem CID 113477259) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
PubChem CID113477259
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid
SMILESCCOC(C)CNCc1ccccc1CC(=O)O
InChIInChI=1S/C14H21NO3/c1-3-18-11(2)9-15-10-13-7-5-4-6-12(13)8-14(16)17/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyCYKDGLLAVZXRAB-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(3-methoxy-2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 115461875
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
2-[2-[[(2-ethyl-4-hydroxybutyl)amino]methyl]phenyl]acetic acid
CID 115462188
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
4-bromo-2-[(2-ethoxypropylamino)methyl]phenol
CID 115655656
N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115696018
6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904972
2-ethoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655543
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
1-[(2-ethoxypropylamino)methyl]naphthalen-2-ol
CID 115655572
3-[(2-ethoxypropylamino)methyl]-4-fluorobenzamide
CID 113477255
2-anilino-N-(2-ethoxypropyl)acetamide
CID 115739451

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid (CID 113477259) is 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid is CCOC(C)CNCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid?
The InChIKey is CYKDGLLAVZXRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-11(2)9-15-10-13-7-5-4-6-12(13)8-14(16)17/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid?
2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid has a molecular weight of 251.33 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethoxypropylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 113477259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).