2-(dimethylamino)ethyl 2-chloro-2-phenylacetate

C12H16ClNO2 — CID 101188921

IUPAC2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
SMILESCN(C)CCOC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-14(2)8-9-16-12(15)11(13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyLENGQFUJYXSTOH-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.07
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate

2-(dimethylamino)ethyl 2-chloro-2-phenylacetate (PubChem CID 101188921) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
PubChem CID101188921
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
SMILESCN(C)CCOC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-14(2)8-9-16-12(15)11(13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyLENGQFUJYXSTOH-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
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2-(dimethylamino)ethyl (2R)-2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
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2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 60949486
2-(dimethylamino)ethyl benzoate;hydroiodide
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(Z)-but-2-enedioic acid;2-(dimethylamino)ethyl 2-anilino-2-phenylacetate
CID 13004541
2-(dimethylamino)ethyl 2-(4-phenylphenyl)butanoate;hydrochloride
CID 117068940
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
CID 2930131
2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride
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2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate (CID 101188921) is 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate is CN(C)CCOC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate?
The InChIKey is LENGQFUJYXSTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-14(2)8-9-16-12(15)11(13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate?
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate has a molecular weight of 241.72 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-chloro-2-phenylacetate is sourced from PubChem (CID 101188921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).