2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid

C15H24N2O2 — CID 84748828

IUPAC2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid
SMILESCCN(CC)Cc1ccc(C(C(=O)O)N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)11-12-7-9-13(10-8-12)14(15(18)19)16(3)4/h7-10,14H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyMEUSYOIARNVZLA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.22
Rot. Bonds7

About 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid

2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid (PubChem CID 84748828) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid
PubChem CID84748828
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid
SMILESCCN(CC)Cc1ccc(C(C(=O)O)N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-5-17(6-2)11-12-7-9-13(10-8-12)14(15(18)19)16(3)4/h7-10,14H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyMEUSYOIARNVZLA-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 93297353
2-[4-[[ethyl(2-ethylbutyl)amino]methyl]phenyl]propanoic acid
CID 105345788
2-[[4-(diethylaminomethyl)phenyl]methyl]pentanoic acid
CID 84752883
methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate
CID 117381834
(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
CID 66718288
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol
CID 117318753
2-[(4-bromophenyl)methyl-methylamino]-2-(4-methylphenyl)acetic acid
CID 42954019
2-[4-[[2-(dimethylamino)ethyl-propylamino]methyl]phenyl]propanoic acid
CID 105345931
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid?
The IUPAC name of 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid (CID 84748828) is 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid.
What is the SMILES notation for 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid?
The canonical SMILES for 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid is CCN(CC)Cc1ccc(C(C(=O)O)N(C)C)cc1.
What is the InChIKey of 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid?
The InChIKey is MEUSYOIARNVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(6-2)11-12-7-9-13(10-8-12)14(15(18)19)16(3)4/h7-10,14H,5-6,11H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid?
2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid has a molecular weight of 264.37 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid is sourced from PubChem (CID 84748828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).