methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate

C14H21NO3 — CID 117381834

IUPACmethyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate
SMILESCCN(CC)Cc1ccc(C(O)C(=O)OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-15(5-2)10-11-6-8-12(9-7-11)13(16)14(17)18-3/h6-9,13,16H,4-5,10H2,1-3H3
InChIKeyPFTSCVYZKSIYRT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds6

About methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate

methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate (PubChem CID 117381834) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate
PubChem CID117381834
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate
SMILESCCN(CC)Cc1ccc(C(O)C(=O)OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-15(5-2)10-11-6-8-12(9-7-11)13(16)14(17)18-3/h6-9,13,16H,4-5,10H2,1-3H3
InChIKeyPFTSCVYZKSIYRT-UHFFFAOYSA-N
XLogP1.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(diethylaminomethyl)phenyl]acetate
CID 125041894
2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol
CID 117318753
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
methyl 2-hydroxy-2-[4-[(1-hydroxycyclopropyl)methyl]phenyl]acetate
CID 117108638
2-[4-(diethylaminomethyl)phenyl]-2-(dimethylamino)acetic acid
CID 84748828
methyl 2-hydroxy-2-[4-(1-methoxyethyl)phenyl]acetate
CID 117321838
ethyl 4-(diethylaminomethyl)benzoate
CID 786451
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
methyl 2-hydroxy-2-[4-(2-piperidin-1-ylethyl)phenyl]acetate
CID 117444428

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate (CID 117381834) is methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate is CCN(CC)Cc1ccc(C(O)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate?
The InChIKey is PFTSCVYZKSIYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15(5-2)10-11-6-8-12(9-7-11)13(16)14(17)18-3/h6-9,13,16H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate?
methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate has a molecular weight of 251.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117381834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).