2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid

C15H24N2O3 — CID 107426423

IUPAC2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1ccccc1C(C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C15H24N2O3/c1-12(13-7-5-6-8-14(13)20-4)17(11-15(18)19)10-9-16(2)3/h5-8,12H,9-11H2,1-4H3,(H,18,19)
InChIKeyBSOSNRAHTSGSDJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.70
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid (PubChem CID 107426423) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
PubChem CID107426423
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1ccccc1C(C)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C15H24N2O3/c1-12(13-7-5-6-8-14(13)20-4)17(11-15(18)19)10-9-16(2)3/h5-8,12H,9-11H2,1-4H3,(H,18,19)
InChIKeyBSOSNRAHTSGSDJ-UHFFFAOYSA-N
XLogP1.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,6-dihydroxyphenyl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107711650
2-[1-(2,5-dimethoxyphenyl)ethyl-(2-methoxyethyl)amino]acetic acid
CID 65067105
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
3-[1-(2-methoxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65057113
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
2-[2-(dimethylamino)ethyl-[2-(2-methoxyphenoxy)ethyl]amino]acetic acid
CID 107425771
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
2-[1-(5-bromofuran-2-yl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426260
2-[1-(1-benzothiophen-2-yl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426442
2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 60833584
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid (CID 107426423) is 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid is COc1ccccc1C(C)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid?
The InChIKey is BSOSNRAHTSGSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(13-7-5-6-8-14(13)20-4)17(11-15(18)19)10-9-16(2)3/h5-8,12H,9-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 107426423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).