2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride

C11H16ClNO3 — CID 170904752

IUPAC2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
SMILESCN(CCOc1ccccc1)CC(=O)O.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-12(9-11(13)14)7-8-15-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3,(H,13,14);1H
InChIKeySASDJKCHNUXCKD-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.50
Rot. Bonds6

About 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride

2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride (PubChem CID 170904752) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
PubChem CID170904752
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
SMILESCN(CCOc1ccccc1)CC(=O)O.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-12(9-11(13)14)7-8-15-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3,(H,13,14);1H
InChIKeySASDJKCHNUXCKD-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
2-[carboxymethyl(3-phenoxypropyl)amino]acetic acid
CID 63644970
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
N-(3,3-dimethylbutyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 87013061
N-(4-acetylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797842
2-[2-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxyethyl-methylamino]acetic acid
CID 59492579
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]acetic acid
CID 119134958
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
N-(butylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8754959
N-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 20846546

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride (CID 170904752) is 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride is CN(CCOc1ccccc1)CC(=O)O.Cl.
What is the InChIKey of 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride?
The InChIKey is SASDJKCHNUXCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-12(9-11(13)14)7-8-15-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3,(H,13,14);1H.
What are the key properties of 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride?
2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 170904752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).