2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid

C15H24N2O2 — CID 107426131

IUPAC2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CCN(C)C)CC(=O)O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-12-5-6-14(13(2)9-12)10-17(11-15(18)19)8-7-16(3)4/h5-6,9H,7-8,10-11H2,1-4H3,(H,18,19)
InChIKeyKVELTWABSJTRAR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid (PubChem CID 107426131) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid
PubChem CID107426131
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid
SMILESCc1ccc(CN(CCN(C)C)CC(=O)O)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-12-5-6-14(13(2)9-12)10-17(11-15(18)19)8-7-16(3)4/h5-6,9H,7-8,10-11H2,1-4H3,(H,18,19)
InChIKeyKVELTWABSJTRAR-UHFFFAOYSA-N
XLogP1.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-4-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425936
2-[(2-bromo-4-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426116
5-[(2,4-dimethylphenyl)methyl-methylamino]pentanoic acid
CID 115219079
2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65063539
sodium;2-[2-[carboxymethyl-[(2-hydroxy-5-methylphenyl)methyl]amino]ethyl-(2-hydroxyethyl)amino]acetic acid;iron
CID 170846192
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
CID 115257415
2-[(2,5-dimethylphenyl)methyl-prop-2-enylamino]acetic acid
CID 79277476
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
amino-[(2,4-dimethylphenyl)methyl]carbamic acid
CID 149436785
2-[2-(dimethylamino)ethyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107425853
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid (CID 107426131) is 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid is Cc1ccc(CN(CCN(C)C)CC(=O)O)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid?
The InChIKey is KVELTWABSJTRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-5-6-14(13(2)9-12)10-17(11-15(18)19)8-7-16(3)4/h5-6,9H,7-8,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid has a molecular weight of 264.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 107426131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).