2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid

C16H24N2O3 — CID 84751366

IUPAC2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
SMILESCCN(CC)c1ccc(C(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-17(4-2)14-7-5-13(6-8-14)15(16(19)20)18-9-11-21-12-10-18/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyAVTPWMVXBZWHBQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid

2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid (PubChem CID 84751366) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
PubChem CID84751366
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
SMILESCCN(CC)c1ccc(C(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-3-17(4-2)14-7-5-13(6-8-14)15(16(19)20)18-9-11-21-12-10-18/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyAVTPWMVXBZWHBQ-UHFFFAOYSA-N
XLogP1.99
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
4-(2-amino-1-morpholin-4-ylethyl)-N,N-diethylaniline
CID 16642854
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)acetic acid
CID 83978214
2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
CID 72863317
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
CID 116860405
2,3-dibromo-3-[4-(diethylamino)phenyl]propanoic acid
CID 131861259
2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
CID 18957404
1-(4-ethylpiperazin-1-yl)-2-morpholin-4-yl-2-phenylethanone
CID 135224933
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid (CID 84751366) is 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid is CCN(CC)c1ccc(C(C(=O)O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid?
The InChIKey is AVTPWMVXBZWHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-17(4-2)14-7-5-13(6-8-14)15(16(19)20)18-9-11-21-12-10-18/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid?
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 84751366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).