2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid

C12H16FNO2 — CID 65063539

IUPAC2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccc(F)cc1C
InChIInChI=1S/C12H16FNO2/c1-3-14(8-12(15)16)7-10-4-5-11(13)6-9(10)2/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyOFSDAJVKEAMIPL-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.04
Rot. Bonds5

About 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid

2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid (PubChem CID 65063539) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
PubChem CID65063539
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccc(F)cc1C
InChIInChI=1S/C12H16FNO2/c1-3-14(8-12(15)16)7-10-4-5-11(13)6-9(10)2/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyOFSDAJVKEAMIPL-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-fluoro-2-methylphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79282964
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
CID 65056319
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 65063168
2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid
CID 65063229
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
4-[(4-fluoro-2-methylphenyl)methyl-methylamino]butanoic acid
CID 65067973
2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid
CID 107426131
2-[(2-bromo-4-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425936
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
2-[ethyl-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043091

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid (CID 65063539) is 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid is CCN(CC(=O)O)Cc1ccc(F)cc1C.
What is the InChIKey of 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid?
The InChIKey is OFSDAJVKEAMIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-14(8-12(15)16)7-10-4-5-11(13)6-9(10)2/h4-6H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid?
2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid has a molecular weight of 225.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 65063539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).